4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid

C11H22N2O4S — CID 43361165

IUPAC4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-13(10-6-3-2-4-7-10)18(16,17)12-9-5-8-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyLTAFBEWXPVEBEK-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.95
Rot. Bonds7

About 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid

4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid (PubChem CID 43361165) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
PubChem CID43361165
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-13(10-6-3-2-4-7-10)18(16,17)12-9-5-8-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyLTAFBEWXPVEBEK-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid (CID 43361165) is 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid is CN(C1CCCCC1)S(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The InChIKey is LTAFBEWXPVEBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-13(10-6-3-2-4-7-10)18(16,17)12-9-5-8-11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 43361165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).