5-sulfamoylpentanoic acid

C5H11NO4S — CID 57172024

IUPAC5-sulfamoylpentanoic acid
SMILESNS(=O)(=O)CCCCC(=O)O
InChIInChI=1S/C5H11NO4S/c6-11(9,10)4-2-1-3-5(7)8/h1-4H2,(H,7,8)(H2,6,9,10)
InChIKeyNWHBSICWIMJPEF-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.47
Rot. Bonds5

About 5-sulfamoylpentanoic acid

5-sulfamoylpentanoic acid (PubChem CID 57172024) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-sulfamoylpentanoic acid.

Molecular Properties

Compound Name5-sulfamoylpentanoic acid
PubChem CID57172024
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name5-sulfamoylpentanoic acid
SMILESNS(=O)(=O)CCCCC(=O)O
InChIInChI=1S/C5H11NO4S/c6-11(9,10)4-2-1-3-5(7)8/h1-4H2,(H,7,8)(H2,6,9,10)
InChIKeyNWHBSICWIMJPEF-UHFFFAOYSA-N
XLogP-0.47
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-sulfamoylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-sulfamoylbutanoic Acid
CID 2773320
5-Sulfopentanoic acid
CID 15986686
2-Sulfamoylpentanoic acid
CID 21241989
7-Sulfamoylheptanoic acid
CID 56994493
6-Sulfamoylhexanoic acid
CID 57225123
2-(1-Sulfamoylcyclopropyl)acetic acid
CID 165438305
Sulfovaleric acid
CID 21639765
5-Fluoro-5-sulfopentanoic acid
CID 87588853
5-Chlorosulfonylpentanoic acid
CID 20448509
1-Hydroxy-1-oxopentane-3-sulfonate
CID 20727818
3-Sulfopentanoic acid
CID 20727819
2-Sulfamoylbutanoic acid
CID 21241990

Frequently Asked Questions

What is the IUPAC name of 5-sulfamoylpentanoic acid?
The IUPAC name of 5-sulfamoylpentanoic acid (CID 57172024) is 5-sulfamoylpentanoic acid.
What is the SMILES notation for 5-sulfamoylpentanoic acid?
The canonical SMILES for 5-sulfamoylpentanoic acid is NS(=O)(=O)CCCCC(=O)O.
What is the InChIKey of 5-sulfamoylpentanoic acid?
The InChIKey is NWHBSICWIMJPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c6-11(9,10)4-2-1-3-5(7)8/h1-4H2,(H,7,8)(H2,6,9,10).
What are the key properties of 5-sulfamoylpentanoic acid?
5-sulfamoylpentanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoylpentanoic acid is sourced from PubChem (CID 57172024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).