N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride

• ChemBase编号: 242531
• 分子式: C14H21ClN2OS2
• 平均质量: 332.91234
• 单一同位素质量: 332.07838298
• SMILES: C(=O)(N(C1CC1)Cc1cscc1)CC1NCCSC1.Cl
• Canonical SMILES: O=C(N(C1CC1)Cc1cscc1)CC1CSCCN1.Cl
• InChI: InChI=1S/C14H20N2OS2.ClH/c17-14(7-12-10-19-6-4-15-12)16(13-1-2-13)8-11-3-5-18-9-11;/h3,5,9,12-13,15H,1-2,4,6-8,10H2;1H
• InChIKey: NITDAKBLYITLGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride
• IUPAC传统名: N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride
• 别名: N-cyclopropyl-2-(thiomorpholin-3-yl)-N-(thiophen-3-ylmethyl)acetamide hydrochloride

登记号

• MDL号: MFCD22566064
• PubChem SID: 164298441
• PubChem CID: 71757039

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.3829905
• LogD (pH = 7.4): 0.20613979
• Log P: 1.5539325
• 摩尔折射率: 81.0529 cm^3
• 极化性: 31.734406 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 150 - 152°C
• 疏水性(logP): 1.973

产品相关信息

• 纯度: 95%