A1B4T
Summary
| Name: | (3S)-1-[(3-ethylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide |
| Formula: | C13 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 266.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(3-ethylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(3-ethylthiophen-2-yl)methyl]-6-oxidanylidene-piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCc1ccsc1CN1CC(CCC1=O)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O2S/c1-2-9-5-6-18-11(9)8-15-7-10(13(14)17)3-4-12(15)16/h5-6,10H,2-4,7-8H2,1H3,(H2,14,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | HYQKQMFDHNHXPW-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccsc1CN2C[C@H](CCC2=O)C(N)=O |
| SMILES | CACTVS | 3.385 | CCc1ccsc1CN2C[CH](CCC2=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1ccsc1CN2C[C@H](CCC2=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1ccsc1CN2CC(CCC2=O)C(=O)N |
