4-[bis(3-methylbutyl)sulfamoyl]butanoic acid

C14H29NO4S — CID 60950494

IUPAC4-[bis(3-methylbutyl)sulfamoyl]butanoic acid
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H29NO4S/c1-12(2)7-9-15(10-8-13(3)4)20(18,19)11-5-6-14(16)17/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyAPGSDAGTUHQMSK-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.58
Rot. Bonds11

About 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid

4-[bis(3-methylbutyl)sulfamoyl]butanoic acid (PubChem CID 60950494) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[bis(3-methylbutyl)sulfamoyl]butanoic acid
PubChem CID60950494
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name4-[bis(3-methylbutyl)sulfamoyl]butanoic acid
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H29NO4S/c1-12(2)7-9-15(10-8-13(3)4)20(18,19)11-5-6-14(16)17/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyAPGSDAGTUHQMSK-UHFFFAOYSA-N
XLogP2.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[bis(3-methylbutyl)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-[bis(3-methylbutyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid (CID 60950494) is 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid is CC(C)CCN(CCC(C)C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid?
The InChIKey is APGSDAGTUHQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-12(2)7-9-15(10-8-13(3)4)20(18,19)11-5-6-14(16)17/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid?
4-[bis(3-methylbutyl)sulfamoyl]butanoic acid has a molecular weight of 307.46 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3-methylbutyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60950494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).