A1CGQ
Summary
| Name: | [(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol |
| Formula: | C9 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 183.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol |
| OpenEye OEToolkits | 3.1.0.0 | [(3~{S},4~{R})-4-thiophen-3-ylpyrrolidin-3-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC1CNCC1c1ccsc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H13NOS/c11-5-8-3-10-4-9(8)7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | SWXORFHOLPJLTG-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1CNC[C@H]1c2cscc2 |
| SMILES | CACTVS | 3.385 | OC[CH]1CNC[CH]1c2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cscc1[C@@H]2CNC[C@H]2CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cscc1C2CNCC2CO |
