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

• ChemBase编号: 323383
• 分子式: C14H19N3O3S
• 平均质量: 309.38396
• 单一同位素质量: 309.11471248
• SMILES: S(=O)(=O)(N1CC2(C(=O)Nc3c2cccc3)CCC1)N(C)C
• Canonical SMILES: O=C1Nc2c(C31CCCN(C3)S(=O)(=O)N(C)C)cccc2
• InChI: InChI=1S/C14H19N3O3S/c1-16(2)21(19,20)17-9-5-8-14(10-17)11-6-3-4-7-12(11)15-13(14)18/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,18)
• InChIKey: GUAQIWDPFHPKKW-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 13.177593
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.28329146
• LogD (pH = 7.4): 0.2832921
• Log P: 0.2832928
• 摩尔折射率: 81.4716 cm^3
• 极化性: 31.667229 Å^3
• 极化表面积: 69.72 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: 1
• Log P: 0.25
• LOG S: -2.98
• 极化表面积: 69.72 Å^2
• 可自由旋转的化学键: 0