4-[butan-2-yl(methyl)sulfamoyl]butanoic acid

C9H19NO4S — CID 43272682

IUPAC4-[butan-2-yl(methyl)sulfamoyl]butanoic acid
SMILESCCC(C)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-8(2)10(3)15(13,14)7-5-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVETLEHBXLDYKLD-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.91
Rot. Bonds7

About 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid

4-[butan-2-yl(methyl)sulfamoyl]butanoic acid (PubChem CID 43272682) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)sulfamoyl]butanoic acid
PubChem CID43272682
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-[butan-2-yl(methyl)sulfamoyl]butanoic acid
SMILESCCC(C)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-8(2)10(3)15(13,14)7-5-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyVETLEHBXLDYKLD-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[butan-2-yl(methyl)sulfamoyl]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-[butan-2-yl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid (CID 43272682) is 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid is CCC(C)N(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid?
The InChIKey is VETLEHBXLDYKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-8(2)10(3)15(13,14)7-5-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid?
4-[butan-2-yl(methyl)sulfamoyl]butanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43272682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).