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N-Methylmethanesulfonamide
CAS: 1184-85-6 | C2H7NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1184-85-6
Molecular Formula:
C2H7NO2S
Molecular Weight:
109.14999999999999 g/mol
Names and Synonyms:
N-Methylmethanesulfonamide
Methanesulfonamide, N-methyl-
N-Methylmethanesulfonamide
NSC 137909
Methyl(methylsulfonyl)amine
N-Methylmethanesulfonamide
Identifiers:
SMILES:
CNS(C)(=O)=O
InChI:
InChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 109.14999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.019749464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.17 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8346 | RDKit |
| molecular_mass | 109.15 g/mol | Legacy Database |
| cas-boiling-point | 153-154 °C @ Press: 15 Torr None | Legacy Database |
| cas-canonical-smile | O=S(=O)(NC)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UHNHTTIUNATJKL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-Methylmethanesulfonamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.903499999999994 | RDKit |
