7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

• ChemBase编号: 571971
• 分子式: C17H31N3O3S
• 平均质量: 357.51134
• 单一同位素质量: 357.20861287
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CC3CCCCC3)CCC2)CC1)N(C)C
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)N(C)C)CC1CCCCC1
• InChI: InChI=1S/C17H31N3O3S/c1-18(2)24(22,23)20-12-10-17(14-20)9-6-11-19(16(17)21)13-15-7-4-3-5-8-15/h15H,3-14H2,1-2H3
• InChIKey: BMZKOHRCXWISBL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• IUPAC传统名: 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• 别名: 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.9695901
• LogD (pH = 7.4): 0.96959263
• Log P: 0.96959263
• 摩尔折射率: 94.7863 cm^3
• 极化性: 37.92714 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.93
• LOG S: -3.82
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 2