N,N-diethyl-9-methyl-10-oxo-3,9-diazaspiro[5.6]dodecane-3-sulfonamide

• ChemBase编号: 505484
• 分子式: C15H29N3O3S
• 平均质量: 331.47406
• 单一同位素质量: 331.1929628
• SMILES: S(=O)(=O)(N1CCC2(CC1)CCN(C(=O)CC2)C)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)N1CCC2(CC1)CCC(=O)N(CC2)C)CC
• InChI: InChI=1S/C15H29N3O3S/c1-4-17(5-2)22(20,21)18-12-9-15(10-13-18)7-6-14(19)16(3)11-8-15/h4-13H2,1-3H3
• InChIKey: IBIWIFKDNAIBTH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-9-methyl-10-oxo-3,9-diazaspiro[5.6]dodecane-3-sulfonamide
• IUPAC传统名: N,N-diethyl-9-methyl-10-oxo-3,9-diazaspiro[5.6]dodecane-3-sulfonamide
• 别名: N,N-diethyl-9-methyl-10-oxo-3,9-diazaspiro[5.6]dodecane-3-sulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.20978026
• LogD (pH = 7.4): -0.20977922
• Log P: -0.2097792
• 摩尔折射率: 87.8427 cm^3
• 极化性: 34.976597 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: 3
• 质子供体: 0
• Log P: 0.05
• LOG S: -2.97
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 2