N-cyclopentyl-6-hydrazinylpyridine-3-sulfonamide

• ChemBase编号: 256154
• 分子式: C10H16N4O2S
• 平均质量: 256.32464
• 单一同位素质量: 256.09939677
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)NC1CCCC1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)NC1CCCC1
• InChI: InChI=1S/C10H16N4O2S/c11-13-10-6-5-9(7-12-10)17(15,16)14-8-3-1-2-4-8/h5-8,14H,1-4,11H2,(H,12,13)
• InChIKey: RYYWCZJCUNZWCF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-6-hydrazinylpyridine-3-sulfonamide
• IUPAC传统名: N-cyclopentyl-6-hydrazinylpyridine-3-sulfonamide
• 别名: N-cyclopentyl-6-hydrazinopyridine-3-sulfonamide

登记号

• MDL号: MFCD09044271
• PubChem SID: 164312064
• PubChem CID: 16771961

理论计算性质

• Acid pKa: 10.152472
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 0.8993975
• LogD (pH = 7.4): 0.92505085
• Log P: 0.92608225
• 摩尔折射率: 67.3891 cm^3
• 极化性: 25.793211 Å^3
• 极化表面积: 97.11 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 167 - 169°C
• 疏水性(logP): 2.0

产品相关信息

• 纯度: 95%