N-ethyl-N-methyl-3,3-diphenylpiperidine-1-sulfonamide

• ChemBase编号: 561184
• 分子式: C20H26N2O2S
• 平均质量: 358.49764
• 单一同位素质量: 358.17149908
• SMILES: S(=O)(=O)(N1CC(c2ccccc2)(c2ccccc2)CCC1)N(CC)C
• Canonical SMILES: CCN(S(=O)(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C20H26N2O2S/c1-3-21(2)25(23,24)22-16-10-15-20(17-22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14H,3,10,15-17H2,1-2H3
• InChIKey: TUUFPVFYHLYOFM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-methyl-3,3-diphenylpiperidine-1-sulfonamide
• IUPAC传统名: N-ethyl-N-methyl-3,3-diphenylpiperidine-1-sulfonamide
• 别名: N-ethyl-N-methyl-3,3-diphenylpiperidine-1-sulfonamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.121155
• LogD (pH = 7.4): 3.121156
• Log P: 3.121156
• 摩尔折射率: 112.8731 cm^3
• 极化性: 40.76345 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.13
• LOG S: -5.4
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 3