EFR
Summary
| Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide |
| Formula: | C11 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 244.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | MLLZAZRBSAVWPR-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CS)C(=O)N1CCC(CC1)CC(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CS)C(=O)N1CCC(CC1)CC(=O)N |
