(1S,6S)-11,11-dimethyl-5-oxa-3$l^{6}-thia-4-azatetracyclo[6.2.1.0^{1,6}.0^{4,6}]undecane-3,3-dione

• ChemBase ID: 90125
• Molecular Formular: C10H15NO3S
• Molecular Mass: 229.296
• Monoisotopic Mass: 229.07726435
• SMILES: O1[C@]23N1S(=O)(=O)C[C@@]12CCC(C3)C1(C)C
• Canonical SMILES: O=S1(=O)C[C@@]23[C@]4(N1O4)CC(C3(C)C)CC2
• InChI: InChI=1S/C10H15NO3S/c1-8(2)7-3-4-9(8)6-15(12,13)11-10(9,5-7)14-11/h7H,3-6H2,1-2H3/t7?,9-,10-,11?/m0/s1
• InChIKey: GBBJBUGPGFNISJ-UPACWWRESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,6S)-11,11-dimethyl-5-oxa-3$l^{6}-thia-4-azatetracyclo[6.2.1.0^{1,6}.0^{4,6}]undecane-3,3-dione
• IUPAC Traditional name: (1S,6S)-11,11-dimethyl-5-oxa-3$l^{6}-thia-4-azatetracyclo[6.2.1.0^{1,6}.0^{4,6}]undecane-3,3-dione
• Synonyms: (-)-Camphorsulphonyl oxaziridine

Database IDs

• MDL Number: MFCD09260480
• PubChem SID: 162076980
• PubChem CID: 13619565

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0614272
• LogD (pH = 7.4): 1.0614272
• Log P: 1.0614272
• Molar Refractivity: 53.2171 cm^3
• Polarizability: 22.321064 Å^3
• Polar Surface Area: 49.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true