C9H15N3O4S — CID 81208839
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol (PubChem CID 81208839) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol.
| Compound Name | [4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol |
|---|---|
| PubChem CID | 81208839 |
| Molecular Formula | C9H15N3O4S |
| Molecular Weight | 261.30 g/mol |
| Exact Mass | 261.08 |
| IUPAC Name | [4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol |
| SMILES | Cc1[nH]ncc1S(=O)(=O)N1CCOC(CO)C1 |
| InChI | InChI=1S/C9H15N3O4S/c1-7-9(4-10-11-7)17(14,15)12-2-3-16-8(5-12)6-13/h4,8,13H,2-3,5-6H2,1H3,(H,10,11) |
| InChIKey | UWAIDYOJQQPDFD-UHFFFAOYSA-N |
| XLogP | -0.90 |
| TPSA | 95.52 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 261.30 |
| LogP ≤ 5 | -0.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |