MHT
Summary
| Name: | (3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane |
| Formula: | C8 H15 N S |
| Formal charge: | 0 |
| Formula weight: | 157.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane |
| OpenEye OEToolkits | 1.7.6 | (3S)-3-methylsulfanyl-1-azabicyclo[2.2.2]octane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S(C2C1CCN(CC1)C2)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NS/c1-10-8-6-9-4-2-7(8)3-5-9/h7-8H,2-6H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | VJFXSWNDOLSMOC-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CS[C@@H]1CN2CCC1CC2 |
| SMILES | CACTVS | 3.385 | CS[CH]1CN2CCC1CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CS[C@@H]1CN2CCC1CC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSC1CN2CCC1CC2 |
