K0D
概要
| 表記: | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
| 組成式: | C9 H13 N3 O2 S |
| 電荷: | 0 |
| 化学式量: | 227.283 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n2cc(C(N1C(C)COC(C)C1)=O)ns2 |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | IKMQGCCZPWFVJE-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN([C@@H](C)CO1)C(=O)c2cnsn2 |
| SMILES | CACTVS | 3.385 | C[CH]1CN([CH](C)CO1)C(=O)c2cnsn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CN([C@H](CO1)C)C(=O)c2cnsn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(C(CO1)C)C(=O)c2cnsn2 |
