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(1R)-10-Camphorsulfonamide
CAS: 72597-34-3 | C10H17NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
72597-34-3
Molecular Formula:
C10H17NO3S
Molecular Mass:
231.32 g/mol
Names and Synonyms:
(1R)-10-Camphorsulfonamide
Bicyclo[2.2.1]heptane-1-methanesulfonamide, 7,7-dimethyl-2-oxo-, (1R,4S)-
Bicyclo[2.2.1]heptane-1-methanesulfonamide, 7,7-dimethyl-2-oxo-, (1R)-
d-10-Camphorsulfonamide
(1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonamide
(1R)-10-Camphorsulfonamide
[[((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methyl]sulfonyl]amine
((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonamide
Identifiers:
SMILES:
CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)C(=O)C2
InChI:
InChI=1S/C10H17NO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3,(H2,11,13,14)/t7-,10-/m0/s1
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.32 g/mol | CAS Common Chemistry |
| 231.31699999999998 g/mol | RDKit | |
| 231.092914404 g/mol | RDKit | |
| Canonical SMILES | O=C1CC2CCC1(CS(=O)(=O)N)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3,(H2,11,13,14)/t7-,10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SBLUNABTQYDFJM-XVKPBYJWSA-N | CAS Common Chemistry |
| Name | (1R)-10-Camphorsulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.23 Ų | RDKit |
| LogP | 0.6703 | RDKit |
| Molar Refractivity | 56.53620000000003 | RDKit |
