N-cyclopentyl-N-{[4-(oxolan-3-yloxy)phenyl]methyl}methanesulfonamide

• ChemBase编号: 587359
• 分子式: C17H25NO4S
• 平均质量: 339.4497
• 单一同位素质量: 339.15042929
• SMILES: S(=O)(=O)(N(Cc1ccc(OC2CCOC2)cc1)C1CCCC1)C
• Canonical SMILES: CS(=O)(=O)N(C1CCCC1)Cc1ccc(cc1)OC1CCOC1
• InChI: InChI=1S/C17H25NO4S/c1-23(19,20)18(15-4-2-3-5-15)12-14-6-8-16(9-7-14)22-17-10-11-21-13-17/h6-9,15,17H,2-5,10-13H2,1H3
• InChIKey: RENAPFCKCGWCCX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-{[4-(oxolan-3-yloxy)phenyl]methyl}methanesulfonamide
• IUPAC传统名: N-cyclopentyl-N-{[4-(oxolan-3-yloxy)phenyl]methyl}methanesulfonamide
• 别名: N-cyclopentyl-N-[4-(tetrahydro-3-furanyloxy)benzyl]methanesulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7348326
• LogD (pH = 7.4): 1.7348326
• Log P: 1.7348326
• 摩尔折射率: 88.9594 cm^3
• 极化性: 35.821156 Å^3
• 极化表面积: 55.84 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.29
• LOG S: -2.14
• 极化表面积: 55.84 Å^2
• 可自由旋转的化学键: 5