L2S
Summary
| Name: | 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine |
| Formula: | C14 H19 N O S |
| Formal charge: | 0 |
| Formula weight: | 249.372 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4-methylphenyl)sulfanyl]-1-(piperidin-1-yl)ethanone |
| OpenEye OEToolkits | 1.7.0 | 2-(4-methylphenyl)sulfanyl-1-piperidin-1-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCCCC1)CSc2ccc(cc2)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(SCC(=O)N2CCCCC2)cc1 |
| SMILES | CACTVS | 3.370 | Cc1ccc(SCC(=O)N2CCCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)SCC(=O)N2CCCCC2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)SCC(=O)N2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C14H19NOS/c1-12-5-7-13(8-6-12)17-11-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3 |
| InChIKey | InChI | 1.03 | SHRAJQKNTTWFAA-UHFFFAOYSA-N |
