A1IXA
Summary
| Name: | (3S)-3-phenylsulfanylpiperidine-2,6-dione |
| Formula: | C11 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 221.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-phenylsulfanylpiperidine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | DVTWEZHTLIJLKO-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](Sc2ccccc2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CC[CH](Sc2ccccc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S[C@H]2CCC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)SC2CCC(=O)NC2=O |
