HCID19693837

Methyl 3-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

methyl 3-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate

C11H18N2O4S274.34 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1c(S(=O)(=O)NC(C)(C)C)ccn1C
InChIKey: FYILIIREVPFQBS-UHFFFAOYSA-N
分子式: C11H18N2O4S
平均分子量: 274.34 g/mol
单同位素质量: 274.09872823

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 85.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 408

ALIASES

名称与别名

共 4 条

SCHEMBL9021915FYILIIREVPFQBS-UHFFFAOYSA-Nmethyl 3-[[(1,1-dimethylethyl)amino]-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylateMethyl 3-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

REACTIONS

相关反应

13 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05585328

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05585328

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05585328

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