{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamide

• ChemBase ID: 163494
• Molecular Formular: C10H17NO3S
• Molecular Mass: 231.31188
• Monoisotopic Mass: 231.09291441
• SMILES: C1(=O)C2(CCC(C1)C2(C)C)CS(=O)(=O)N
• Canonical SMILES: O=C1CC2C(C1(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)
• InChIKey: SBLUNABTQYDFJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamide
• IUPAC Traditional name: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamide
• Synonyms: (1R,4S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonamide; d-10-Camphorsulfonamide; (1R)-10-Camphorsulfonamide; (1R)-(-)-10-Camphorsulfonamide; (1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-methanesulfonamide; 10-Camphorsulfonamide; (+)-Camphorsulfonamide; (1S)-10-Camphorsulfonamide; (1S)-(+)-10-Camphorsulfonamide; (1R)-10-Camphorsulfonamide; (1S)-10-Camphorsulfonamide; (1R)-10-樟脑磺酰胺; (1S)-10-樟脑内磺酰胺

Database IDs

• CAS Number: 60933-63-3; 72597-34-3
• MDL Number: MFCD00151500; MFCD00075611
• PubChem SID: 162257629
• PubChem CID: 573110

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

• Solubility: Dichloromethane
• Apperance: Off-White Solid; Powder
• Melting Point: 133-135°C dec.; 134°Cdec.

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - C175065

An amino chiral derivative of Camphor.

Toronto Research Chemicals - C175060

An amino chiral derivative of Camphor.

REFERENCES

• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)
• Peng, R., et al.: Biochem. Pharmacol., 35, 1391 (1986)
• Tanaka, E., et al.: Biochem. Pharmacol., 41, 472 (1986)