[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonamide

• ChemBase ID: 151643
• Molecular Formular: C10H17NO3S
• Molecular Mass: 231.31188
• Monoisotopic Mass: 231.09291441
• SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C
• Canonical SMILES: O=C1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N)(C)C
• 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-/m1/s1
• InChIKey: SBLUNABTQYDFJM-GMSGAONNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonamide
• IUPAC Traditional name: [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonamide
• Synonyms: (1S)-10-Camphorsulfonamide; (1S)-10-樟脑磺酰胺

Database IDs

• CAS Number: 60933-63-3
• MDL Number: MFCD00075611
• PubChem SID: 24863455; 162245793
• PubChem CID: 676164

CALCULATED PROPERTIES

• Acid pKa: 10.0640335
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4077207
• LogD (pH = 7.4): 0.4068982
• Log P: 0.4077312
• Molar Refractivity: 56.1961 cm^3
• Polarizability: 23.134464 Å^3
• Polar Surface Area: 77.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129-132 °C(lit.)
• Optical Rotation: [α]20/D +22°, c = 1 in methanol

Safety Information

• German water hazard class: 3

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H17NO3S

DETAILS

Sigma Aldrich - 376612

Other Notes
Sign of optical rotation varies with solvent
Packaging
1 g in glass bottle