7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

• ChemBase编号: 654018
• 分子式: C16H29N3O3S
• 平均质量: 343.48476
• 单一同位素质量: 343.1929628
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(C3CCCCC3)CCC2)CC1)N(C)C
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)N(C)C)C1CCCCC1
• InChI: InChI=1S/C16H29N3O3S/c1-17(2)23(21,22)18-12-10-16(13-18)9-6-11-19(15(16)20)14-7-4-3-5-8-14/h14H,3-13H2,1-2H3
• InChIKey: XHFVVNWFZRVUOD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• IUPAC传统名: 7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• 别名: 7-cyclohexyl-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): 0.6545768
• LogD (pH = 7.4): 0.6545799
• Log P: 0.65457994
• 摩尔折射率: 90.0555 cm^3
• 极化性: 36.09237 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.69
• LOG S: -2.29
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 1