A1AJT
Summary
| Name: | (2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-amine |
| Formula: | C10 H16 N2 S |
| Formal charge: | 0 |
| Formula weight: | 196.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(CN)N1CCc2sccc2C1 |
| InChI | InChI | 1.06 | InChI=1S/C10H16N2S/c1-8(6-11)12-4-2-10-9(7-12)3-5-13-10/h3,5,8H,2,4,6-7,11H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | MQKOIUAPLLHABT-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CN)N1CCc2sccc2C1 |
| SMILES | CACTVS | 3.385 | C[CH](CN)N1CCc2sccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CN)N1CCc2c(ccs2)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CN)N1CCc2c(ccs2)C1 |
