MJ4
Summary
| Name: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol |
| Formula: | C9 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 185.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CC(C)O)Cc1ccc(s1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | JLVFMHMDKADIAM-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CNCc1sc(C)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](O)CNCc1sc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(s1)CNC[C@@H](C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(s1)CNCC(C)O |
