1-Pyrrolidinecarboxamide,N-[(4-methylphenyl)sulfonyl]- | 5588-38-5
1-Pyrrolidinecarboxamide,N-[(4-methylphenyl)sulfonyl]-
5588-38-5
C12H16N2O3S
268.33200
名称和标识符
InChIKey |
RFVJKWJDUQOEML-UHFFFAOYSA-N |
Inchi |
InChI=1S/C12H16N2O3S/c1-10-4-6-11(7-5-10)18(16,17)13-12(15)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15) |
SMILES |
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC2 |
别名信息
- 英文别名 -
- 1-Pyrrolidinecarboxamide,N-[(4-methylphenyl)sulfonyl]-
- N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
- Topyrramide
- (Pyrrolidin-1-carbonyl)-(toluol-4-sulfonyl)-amin
- (pyrrolidine-1-carbonyl)-(toluene-4-sulfonyl)-amine
- 1-Pyrrolidinecarboxamide,N-((4-methylphenyl)sulfonyl)
- n-[(4-methylphenyl)sulfonyl]pyrrolidine-1-carboxamide
- N-p-Tolylsulfonyl-1-pyrrolidinecarboxamide
- Tolpyrramide
- DTXSID30204478
- IDI1_032823
- 1-Pyrrolidinecarboxamide, N-[(4-methylphenyl)sulfonyl]-
- Q27292388
- Tolpyrramide [USAN:INN]
- Tolpyrramide (USAN/INN)
- W68DD2C7VG
- UNII-W68DD2C7VG
- N-Tosylpyrrolidine-1-carboxamide
- NSC 106572
- Oprea1_300782
- CHEBI:177526
- TOLPYRRAMIDE [USAN]
- SR-01000004604
- 1-Pyrrolidinecarboxamide, N-((4-methylphenyl)sulfonyl)-
- 1-Tetramethylene-3-p-tolylsulfonylurea
- 5588-38-5
- SCHEMBL667821
- 1-Pyrrolidinecarboxamide, N-(p-tolylsulfonyl)-
- MLS002703925
- CHEMBL2105608
- N-(p-Tolylsulfonyl)-1-pyrrolidinecarboxamide
- HMS1532F19
- NS00124953
- Maybridge4_004001
- MLS006014409
- NSC106572
- NSC-106572
- SR-01000004604-1
- TOLPYRRAMIDE [INN]
- D06186
- N-(4-methylphenyl)sulonylpyrrolidine-1-carboxamide
- SMR001570637
- CCG-246739
物化性质
实验特性
LogP |
2.89870 |
PSA |
74.86000 |
折射率 |
1.584 |
密度 |
1.303 |
计算特性
精确分子量 |
268.08800 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
268.088 |
重原子数量 |
18 |
复杂度 |
388 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.5 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
74.9A^2 |
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