5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid

C9H11NO5S2 — CID 80716496

IUPAC5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=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)
InChIKeyPODHMMIPONZNOD-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.51
Rot. Bonds4

About 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid

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.

Molecular Properties

Compound Name5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID80716496
Molecular FormulaC9H11NO5S2
Molecular Weight277.32 g/mol
Exact Mass277.01
IUPAC Name5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=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)
InChIKeyPODHMMIPONZNOD-UHFFFAOYSA-N
XLogP0.51
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid (CID 80716496) is 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)NC2CCOC2)c1.
What is the InChIKey of 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is PODHMMIPONZNOD-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid?
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 80716496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).