2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide

• ChemBase编号: 850144
• 分子式: C19H31N3O2S
• 平均质量: 365.53334
• 单一同位素质量: 365.21369825
• SMILES: S(=O)(=O)(N1CCC2(CC(CN(C2)CC)c2ccccc2)CC1)N(C)C
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)S(=O)(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C19H31N3O2S/c1-4-21-15-18(17-8-6-5-7-9-17)14-19(16-21)10-12-22(13-11-19)25(23,24)20(2)3/h5-9,18H,4,10-16H2,1-3H3
• InChIKey: WSNHQDVPWJRLKP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• IUPAC传统名: 2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• 别名: 2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.6360265
• LogD (pH = 7.4): -0.07327204
• Log P: 1.5954286
• 摩尔折射率: 103.2802 cm^3
• 极化性: 41.09442 Å^3
• 极化表面积: 43.86 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: 3
• 质子供体: 0
• Log P: 1.93
• LOG S: -2.5
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 2