C9H11NO5S2 — CID 80716496
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 80716496) has the molecular formula C9H11NO5S2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid.
| Compound Name | 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid |
|---|---|
| PubChem CID | 80716496 |
| Molecular Formula | C9H11NO5S2 |
| Molecular Weight | 277.32 g/mol |
| Exact Mass | 277.01 |
| IUPAC Name | 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid |
| SMILES | O=C(O)c1csc(S(=O)(=O)NC2CCOC2)c1 |
| InChI | InChI=1S/C9H11NO5S2/c11-9(12)6-3-8(16-5-6)17(13,14)10-7-1-2-15-4-7/h3,5,7,10H,1-2,4H2,(H,11,12) |
| InChIKey | PODHMMIPONZNOD-UHFFFAOYSA-N |
| XLogP | 0.51 |
| TPSA | 92.70 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 277.32 |
| LogP ≤ 5 | 0.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |