2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid

C8H17NO4S — CID 43570045

IUPAC2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid
SMILESCC(C)C(C)N(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)7(3)9(4)14(12,13)5-8(10)11/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyMSJDPLIFXOEVSF-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.38
Rot. Bonds5

About 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid

2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid (PubChem CID 43570045) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid
PubChem CID43570045
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid
SMILESCC(C)C(C)N(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)7(3)9(4)14(12,13)5-8(10)11/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyMSJDPLIFXOEVSF-UHFFFAOYSA-N
XLogP0.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic 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-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid (CID 43570045) is 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid is CC(C)C(C)N(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid?
The InChIKey is MSJDPLIFXOEVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(2)7(3)9(4)14(12,13)5-8(10)11/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid?
2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid has a molecular weight of 223.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutan-2-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 43570045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).