T84
Summary
| Name: | 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one |
| Formula: | C11 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 224.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(C)=O)Cc2ccsc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2OS/c1-10(14)13-5-3-12(4-6-13)8-11-2-7-15-9-11/h2,7,9H,3-6,8H2,1H3 |
| InChIKey | InChI | 1.03 | GHWOPOKXTBUQPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)Cc2cscc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)Cc2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)Cc2ccsc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)Cc2ccsc2 |
