3-(methylsulfamoyl)propanoic acid;hydrochloride

C4H10ClNO4S — CID 169043328

IUPAC3-(methylsulfamoyl)propanoic acid;hydrochloride
SMILESCNS(=O)(=O)CCC(=O)O.Cl
InChIInChI=1S/C4H9NO4S.ClH/c1-5-10(8,9)3-2-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H
InChIKeyBITSVCOAJQIEIF-UHFFFAOYSA-N
MW203.65 g/mol
LogP-0.57
Rot. Bonds4

About 3-(methylsulfamoyl)propanoic acid;hydrochloride

3-(methylsulfamoyl)propanoic acid;hydrochloride (PubChem CID 169043328) has the molecular formula C4H10ClNO4S and a molecular weight of 203.65 g/mol. Its IUPAC name is 3-(methylsulfamoyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(methylsulfamoyl)propanoic acid;hydrochloride
PubChem CID169043328
Molecular FormulaC4H10ClNO4S
Molecular Weight203.65 g/mol
Exact Mass203.00
IUPAC Name3-(methylsulfamoyl)propanoic acid;hydrochloride
SMILESCNS(=O)(=O)CCC(=O)O.Cl
InChIInChI=1S/C4H9NO4S.ClH/c1-5-10(8,9)3-2-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H
InChIKeyBITSVCOAJQIEIF-UHFFFAOYSA-N
XLogP-0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 5-0.57
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;hydrochloride?
The IUPAC name of 3-(methylsulfamoyl)propanoic acid;hydrochloride (CID 169043328) is 3-(methylsulfamoyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(methylsulfamoyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(methylsulfamoyl)propanoic acid;hydrochloride is CNS(=O)(=O)CCC(=O)O.Cl.
What is the InChIKey of 3-(methylsulfamoyl)propanoic acid;hydrochloride?
The InChIKey is BITSVCOAJQIEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S.ClH/c1-5-10(8,9)3-2-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H.
What are the key properties of 3-(methylsulfamoyl)propanoic acid;hydrochloride?
3-(methylsulfamoyl)propanoic acid;hydrochloride has a molecular weight of 203.65 g/mol, XLogP of -0.57, 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;hydrochloride is sourced from PubChem (CID 169043328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).