A1DO1
Summary
| Name: | (1S)-2-amino-1-cyclopropyl-1-(thiophen-2-yl)ethan-1-ol |
| 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 | (1S)-2-amino-1-cyclopropyl-1-(thiophen-2-yl)ethan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S})-2-azanyl-1-cyclopropyl-1-thiophen-2-yl-ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCC(O)(c1cccs1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H13NOS/c10-6-9(11,7-3-4-7)8-2-1-5-12-8/h1-2,5,7,11H,3-4,6,10H2/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | QDWWUXYCZAGBEE-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@](O)(C1CC1)c2sccc2 |
| SMILES | CACTVS | 3.385 | NC[C](O)(C1CC1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)[C@@](CN)(C2CC2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)C(CN)(C2CC2)O |
