2-methyl-2-sulfamoylbutanoic acid

C5H11NO4S — CID 23171219

IUPAC2-methyl-2-sulfamoylbutanoic acid
SMILESCCC(C)(C(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-3-5(2,4(7)8)11(6,9)10/h3H2,1-2H3,(H,7,8)(H2,6,9,10)
InChIKeyODEYLLDKZBOXJP-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.47
Rot. Bonds3

About 2-methyl-2-sulfamoylbutanoic acid

2-methyl-2-sulfamoylbutanoic acid (PubChem CID 23171219) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-methyl-2-sulfamoylbutanoic acid.

Molecular Properties

Compound Name2-methyl-2-sulfamoylbutanoic acid
PubChem CID23171219
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name2-methyl-2-sulfamoylbutanoic acid
SMILESCCC(C)(C(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-3-5(2,4(7)8)11(6,9)10/h3H2,1-2H3,(H,7,8)(H2,6,9,10)
InChIKeyODEYLLDKZBOXJP-UHFFFAOYSA-N
XLogP-0.47
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-sulfamoylbutanoic acid?
The IUPAC name of 2-methyl-2-sulfamoylbutanoic acid (CID 23171219) is 2-methyl-2-sulfamoylbutanoic acid.
What is the SMILES notation for 2-methyl-2-sulfamoylbutanoic acid?
The canonical SMILES for 2-methyl-2-sulfamoylbutanoic acid is CCC(C)(C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-methyl-2-sulfamoylbutanoic acid?
The InChIKey is ODEYLLDKZBOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-5(2,4(7)8)11(6,9)10/h3H2,1-2H3,(H,7,8)(H2,6,9,10).
What are the key properties of 2-methyl-2-sulfamoylbutanoic acid?
2-methyl-2-sulfamoylbutanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-sulfamoylbutanoic acid is sourced from PubChem (CID 23171219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).