3-sulfamoylcyclobutane-1-carboxylic acid

C5H9NO4S — CID 155973539

IUPAC3-sulfamoylcyclobutane-1-carboxylic acid
SMILESNS(=O)(=O)C1CC(C(=O)O)C1
InChIInChI=1S/C5H9NO4S/c6-11(9,10)4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)(H2,6,9,10)
InChIKeyLZNKZJVJHVJPDT-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.86
Rot. Bonds2

About 3-sulfamoylcyclobutane-1-carboxylic acid

3-sulfamoylcyclobutane-1-carboxylic acid (PubChem CID 155973539) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-sulfamoylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-sulfamoylcyclobutane-1-carboxylic acid
PubChem CID155973539
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name3-sulfamoylcyclobutane-1-carboxylic acid
SMILESNS(=O)(=O)C1CC(C(=O)O)C1
InChIInChI=1S/C5H9NO4S/c6-11(9,10)4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)(H2,6,9,10)
InChIKeyLZNKZJVJHVJPDT-UHFFFAOYSA-N
XLogP-0.86
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-sulfamoylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-sulfamoylcyclobutane-1-carboxylic acid (CID 155973539) is 3-sulfamoylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-sulfamoylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-sulfamoylcyclobutane-1-carboxylic acid is NS(=O)(=O)C1CC(C(=O)O)C1.
What is the InChIKey of 3-sulfamoylcyclobutane-1-carboxylic acid?
The InChIKey is LZNKZJVJHVJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c6-11(9,10)4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)(H2,6,9,10).
What are the key properties of 3-sulfamoylcyclobutane-1-carboxylic acid?
3-sulfamoylcyclobutane-1-carboxylic acid has a molecular weight of 179.20 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfamoylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 155973539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).