2-(3,5-dimethylbenzenesulfonyl)-2,8-diazaspiro[4.5]decane

• ChemBase ID: 317953
• Molecular Formular: C16H24N2O2S
• Molecular Mass: 308.43896
• Monoisotopic Mass: 308.15584902
• SMILES: S(=O)(=O)(N1CC2(CC1)CCNCC2)c1cc(cc(c1)C)C
• Canonical SMILES: Cc1cc(C)cc(c1)S(=O)(=O)N1CCC2(C1)CCNCC2
• InChI: InChI=1S/C16H24N2O2S/c1-13-9-14(2)11-15(10-13)21(19,20)18-8-5-16(12-18)3-6-17-7-4-16/h9-11,17H,3-8,12H2,1-2H3
• InChIKey: SDWBKWWWIWLBGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethylbenzenesulfonyl)-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(3,5-dimethylbenzenesulfonyl)-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[(3,5-dimethylphenyl)sulfonyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1577
• LogD (pH = 7.4): -0.47025782
• Log P: 2.0622983
• Molar Refractivity: 85.7326 cm^3
• Polarizability: 33.928574 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.76
• LOG S: -2.8
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1