N,N-dimethyl-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-sulfonamide

• ChemBase编号: 552547
• 分子式: C17H32N4O4S
• 平均质量: 388.52538
• 单一同位素质量: 388.21442652
• SMILES: S(=O)(=O)(N1CCC(N2CC(C(=O)N3CCOCC3)CCC2)CC1)N(C)C
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C1CCN(CC1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H32N4O4S/c1-18(2)26(23,24)21-8-5-16(6-9-21)20-7-3-4-15(14-20)17(22)19-10-12-25-13-11-19/h15-16H,3-14H2,1-2H3
• InChIKey: RSNXFAPURUQOIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-sulfonamide
• IUPAC传统名: N,N-dimethyl-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-sulfonamide
• 别名: N,N-dimethyl-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine-1'-sulfonamide

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -4.5452275
• LogD (pH = 7.4): -2.8934312
• Log P: -1.4188664
• 摩尔折射率: 100.7975 cm^3
• 极化性: 40.178688 Å^3
• 极化表面积: 73.4 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: 5
• 质子供体: 0
• Log P: -0.85
• LOG S: -2.62
• 极化表面积: 73.4 Å^2
• 可自由旋转的化学键: 2