Structure of Methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate (C8H16N2O4S)
Powered by CC-DPS Delivering 2,100+ Information Sets per Compound.
![2D chemical structure image of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate](http://static.molinstincts.com/compound_common/methyl-2-1-methanesulfonylazetidin-3-yl-methyl-amino-acetate-2D-structure-CT1048455082.png)
Chemical Formula | C8H16N2O4S |
---|---|
Molecular Weight | 236.28864 g/mol |
IUPAC Name | methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate |
SMILES String | COC(=O)CN(C)C1CN(C1)S(C)(=O)=O |
InChI | InChI=1S/C8H16N2O4S/c1-9(6-8(11)14-2)7-4-10(5-7)15(3,12)13/h7H,4-6H2,1-3H3 |
InChIKey | UKFFAQHEQMIRBQ-UHFFFAOYSA-N |
Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate molecule contains a total of 31 bond(s). There are 15 non-H bond(s), 3 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 1 four-membered ring(s), 1 ester(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Azetidine(s). Images of the chemical structure of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate are given below:
![2D chemical structure image of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate](http://static.molinstincts.com/compound_common/methyl-2-1-methanesulfonylazetidin-3-yl-methyl-amino-acetate-2D-structure-CT1048455082.png)
![3D chemical structure image of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate](http://static.molinstincts.com/compound_3d/methyl-2-1-methanesulfonylazetidin-3-yl-methyl-amino-acetate-3D-structure-CT1048455082.png)
The 2D chemical structure image of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate is provided here.
The methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
Search Another Chemical Structure
Enter another compound to search for chemical structure:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate
The SMILES string of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate is COC(=O)CN(C)C1CN(C1)S(C)(=O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate.
-
Structure Data File (SDF/MOL File) of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate
The structure data file (SDF/MOL File) of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate is available for download in the SDF page of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate, which provides the information about the atoms, bonds, connectivity and coordinates of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate. The methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate structure data file can be imported to most of the cheminformatics software systems and applications.
-
Chemical formula of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate
The molecular formula of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate is available in chemical formula page of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
Molecular weight of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate
The molecular weight of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate is available in molecular weight page of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
-
Other names (synonyms) or registry numbers of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate
The methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate including the various registry numbers, if available:
None available.
Methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate? |
---|
C8H16N2O4S |
How many atoms and what are the elements included the methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate molecule? |
31 atom(s) - 16 Hydrogen atom(s), 8 Carbon atom(s), 2 Nitrogen atom(s), 4 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate structure? |
31 bond(s) - 15 non-H bond(s), 3 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 1 four-membered ring(s), 1 ester(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Azetidine(s) |
What’s the methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate’s molecular weight? |
236.28864 g/mol |
What’s the SMILES code of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate? |
COC(=O)CN(C)C1CN(C1)S(C)(=O)=O |
What’s the InChI string of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate? |
InChI=1S/C8H16N2O4S/c1-9(6-8(11)14-2)7-4-10(5-7)15(3,12)13/h7H,4-6H2,1-3H3 |
What’s the InChIKey code of methyl 2-[(1-methanesulfonylazetidin-3-yl)(methyl)amino]acetate? |
UKFFAQHEQMIRBQ-UHFFFAOYSA-N |