A1DO4
Summary
| Name: | (3R)-3-(thiophen-2-yl)piperazin-2-one |
| Formula: | C8 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 182.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-3-(thiophen-2-yl)piperazin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-3-thiophen-2-ylpiperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NCCNC1c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | BBACKDMGYMXYLE-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCN[C@H]1c2sccc2 |
| SMILES | CACTVS | 3.385 | O=C1NCCN[CH]1c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)[C@H]2C(=O)NCCN2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)C2C(=O)NCCN2 |
