2-(butylsulfamoyl)-2-methylpropanoic acid

C8H17NO4S — CID 59634332

IUPAC2-(butylsulfamoyl)-2-methylpropanoic acid
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-4-5-6-9-14(12,13)8(2,3)7(10)11/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeyQWQWNNWISJRKPA-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.57
Rot. Bonds6

About 2-(butylsulfamoyl)-2-methylpropanoic acid

2-(butylsulfamoyl)-2-methylpropanoic acid (PubChem CID 59634332) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(butylsulfamoyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(butylsulfamoyl)-2-methylpropanoic acid
PubChem CID59634332
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-(butylsulfamoyl)-2-methylpropanoic acid
SMILESCCCCNS(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-4-5-6-9-14(12,13)8(2,3)7(10)11/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeyQWQWNNWISJRKPA-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(butylsulfamoyl)-2-methylpropanoic 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 2-(butylsulfamoyl)-2-methylpropanoic acid?
The IUPAC name of 2-(butylsulfamoyl)-2-methylpropanoic acid (CID 59634332) is 2-(butylsulfamoyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(butylsulfamoyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(butylsulfamoyl)-2-methylpropanoic acid is CCCCNS(=O)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-(butylsulfamoyl)-2-methylpropanoic acid?
The InChIKey is QWQWNNWISJRKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-4-5-6-9-14(12,13)8(2,3)7(10)11/h9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-(butylsulfamoyl)-2-methylpropanoic acid?
2-(butylsulfamoyl)-2-methylpropanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfamoyl)-2-methylpropanoic acid is sourced from PubChem (CID 59634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).