3-(methylsulfamoyl)propanoic acid

C4H9NO4S — CID 14148292

IUPAC3-(methylsulfamoyl)propanoic acid
SMILESCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C4H9NO4S/c1-5-10(8,9)3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyMZDBJRROCIFXFX-UHFFFAOYSA-N
MW167.19 g/mol
LogP-0.99
Rot. Bonds4

About 3-(methylsulfamoyl)propanoic acid

3-(methylsulfamoyl)propanoic acid (PubChem CID 14148292) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is 3-(methylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(methylsulfamoyl)propanoic acid
PubChem CID14148292
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name3-(methylsulfamoyl)propanoic acid
SMILESCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C4H9NO4S/c1-5-10(8,9)3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyMZDBJRROCIFXFX-UHFFFAOYSA-N
XLogP-0.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)propanoic acid?
The IUPAC name of 3-(methylsulfamoyl)propanoic acid (CID 14148292) is 3-(methylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(methylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(methylsulfamoyl)propanoic acid is CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(methylsulfamoyl)propanoic acid?
The InChIKey is MZDBJRROCIFXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c1-5-10(8,9)3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 3-(methylsulfamoyl)propanoic acid?
3-(methylsulfamoyl)propanoic acid has a molecular weight of 167.19 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)propanoic acid is sourced from PubChem (CID 14148292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).