T8J
Summary
| Name: | 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one |
| Formula: | C11 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 238.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(C)=O)C(c2cccs2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3 |
| InChIKey | InChI | 1.03 | VSORHSQQVYIMDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)C(=O)c2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)C(=O)c2cccs2 |
