A1A3R
Summary
| Name: | (2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine |
| Formula: | C9 H14 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 247.745 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S},5~{R})-4-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethyl-morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1COC(C)CN1Cc1nnsc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C9H14ClN3OS/c1-6-5-14-7(2)3-13(6)4-8-9(10)15-12-11-8/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.06 | WFCPFRCXTJZDAM-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(Cc2nnsc2Cl)[C@H](C)CO1 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(Cc2nnsc2Cl)[CH](C)CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1CN([C@@H](CO1)C)Cc2c(snn2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CN(C(CO1)C)Cc2c(snn2)Cl |
