1-methyl-1'-(morpholine-4-sulfonyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase编号: 748919
• 分子式: C17H23N3O4S
• 平均质量: 365.44722
• 单一同位素质量: 365.14092723
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(S(=O)(=O)N1CCOCC1)CCC2
• Canonical SMILES: O=C1N(C)c2c(C31CCCN(C3)S(=O)(=O)N1CCOCC1)cccc2
• InChI: InChI=1S/C17H23N3O4S/c1-18-15-6-3-2-5-14(15)17(16(18)21)7-4-8-20(13-17)25(22,23)19-9-11-24-12-10-19/h2-3,5-6H,4,7-13H2,1H3
• InChIKey: JXBQIDWQZYTTLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1'-(morpholine-4-sulfonyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC传统名: 1-methyl-1'-(morpholine-4-sulfonyl)spiro[indole-3,3'-piperidine]-2-one
• 别名: 1-methyl-1'-(morpholin-4-ylsulfonyl)spiro[indole-3,3'-piperidin]-2(1H)-one

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.07114158
• LogD (pH = 7.4): -0.07114158
• Log P: -0.07114158
• 摩尔折射率: 93.662 cm^3
• 极化性: 37.172707 Å^3
• 极化表面积: 70.16 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: 4
• 质子供体: 0
• Log P: -0.41
• LOG S: -2.82
• 极化表面积: 70.16 Å^2
• 可自由旋转的化学键: 0