HCID66569167

(1-Acetylpiperidin-4-yl)methyl 4-methylbenzenesulfonate

C15H21NO4S311.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)N1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1
InChIKey: KQTRSJGIZXLUJW-UHFFFAOYSA-N
分子式: C15H21NO4S
平均分子量: 311.4 g/mol
单同位素质量: 311.11912932

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 72.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 21
形式电荷: 0
复杂度: 441

ALIASES

名称与别名

共 12 条

(1-acetylpiperidin-4-yl)methyl 4-methylbenzenesulfonate846057-25-8Toluene-4-sulfonic acid 1-acetyl-piperidin-4-ylmethyl esterSCHEMBL1502234CHEMBL5005798KQTRSJGIZXLUJW-UHFFFAOYSA-NAKOS025312670DB-257112F087530(1-acetyl-4-piperidyl)methyl 4-methylbenzenesulfonate(1-acetylpiperidin-4-yl)methyl4-methylbenzenesulfonateF1905-0488

REACTIONS

参与反应

2 条

uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09133154B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09133154B2

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