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

C10H21NO4S — CID 60952044

IUPAC4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid
SMILESCC(C)CCN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-9(2)6-7-11(3)16(14,15)8-4-5-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyCDTNRTJCFDQZQR-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.16
Rot. Bonds8

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

4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid (PubChem CID 60952044) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid
PubChem CID60952044
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid
SMILESCC(C)CCN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-9(2)6-7-11(3)16(14,15)8-4-5-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyCDTNRTJCFDQZQR-UHFFFAOYSA-N
XLogP1.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(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

Related Compounds

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
3-[3-Fluoropropylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 120397697
3-[4-Fluorobutylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 121617586
3-(Dimethylsulfamoyl)-2,3-dimethylbutanoic acid
CID 18738475
1-Butylsulfonylpyrrolidine-3-carboxylic acid
CID 22322752
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
3-((3-Carboxypropyl)dimethylammonio)propane-1-sulfonate
CID 56969966
2-(Dipropylsulfamoyl)propanoic acid
CID 57944979

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid (CID 60952044) is 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid is CC(C)CCN(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid?
The InChIKey is CDTNRTJCFDQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(2)6-7-11(3)16(14,15)8-4-5-10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid?
4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylbutyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60952044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).