A1AYC
Summary
| Name: | (5-tert-butylthiophen-2-yl)(pyrrolidin-1-yl)methanone |
| Formula: | C13 H19 N O S |
| Formal charge: | 0 |
| Formula weight: | 237.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-tert-butylthiophen-2-yl)(pyrrolidin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | (5-~{tert}-butylthiophen-2-yl)-pyrrolidin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc(s1)C(C)(C)C)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H19NOS/c1-13(2,3)11-7-6-10(16-11)12(15)14-8-4-5-9-14/h6-7H,4-5,8-9H2,1-3H3 |
| InChIKey | InChI | 1.06 | NMXUYRLEYFWAEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1sc(cc1)C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1sc(cc1)C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(s1)C(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(s1)C(=O)N2CCCC2 |
