N,N,1-trimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-sulfonamide

• ChemBase编号: 458271
• 分子式: C15H21N3O3S
• 平均质量: 323.41054
• 单一同位素质量: 323.13036255
• SMILES: S(=O)(=O)(N1CCC2(C(=O)N(c3c2cccc3)C)CC1)N(C)C
• Canonical SMILES: O=C1N(C)c2c(C31CCN(CC3)S(=O)(=O)N(C)C)cccc2
• InChI: InChI=1S/C15H21N3O3S/c1-16(2)22(20,21)18-10-8-15(9-11-18)12-6-4-5-7-13(12)17(3)14(15)19/h4-7H,8-11H2,1-3H3
• InChIKey: OFYQIPKOADIFGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N,1-trimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-sulfonamide
• IUPAC传统名: N,N,1-trimethyl-2-oxospiro[indole-3,4'-piperidine]-1'-sulfonamide
• 别名: N,N,1-trimethyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-sulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.008549931
• LogD (pH = 7.4): -0.0085486015
• Log P: -0.008548585
• 摩尔折射率: 84.7415 cm^3
• 极化性: 33.500824 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.31
• LOG S: -3.13
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 0