(1R)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane-4,4-dione

• ChemBase ID: 286684
• Molecular Formular: C10H17NO2S
• Molecular Mass: 215.31248
• Monoisotopic Mass: 215.09799979
• SMILES: CC1(C)[C@@]23CNS(=O)(=O)C3CC1CC2
• Canonical SMILES: O=S1(=O)NC[C@@]23C1CC(C3(C)C)CC2
• InChI: InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-11-14(12,13)8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7?,8?,10-/m1/s1
• InChIKey: STJNBFBNHBGLRO-SFVIPPHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-10,10-dimethyl-4λ^6-thia-3-azatricyclo[5.2.1.0^1,^5]decane-4,4-dione
• IUPAC Traditional name: (1R)-10,10-dimethyl-4λ^6-thia-3-azatricyclo[5.2.1.0^1,^5]decane-4,4-dione
• Synonyms: (1R)-(+)-2,10,Camphorsultam

Database IDs

• CAS Number: 108448-77-7
• MDL Number: MFCD00151762
• PubChem SID: 180672215
• PubChem CID: 18392861

CALCULATED PROPERTIES

• Acid pKa: 10.319705
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.73864
• LogD (pH = 7.4): 0.73818326
• Log P: 0.73864585
• Molar Refractivity: 53.7776 cm^3
• Polarizability: 22.299479 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%