2-sulfamoylpropanoic acid

C3H7NO4S — CID 19833533

IUPAC2-sulfamoylpropanoic acid
SMILESCC(C(=O)O)S(N)(=O)=O
InChIInChI=1S/C3H7NO4S/c1-2(3(5)6)9(4,7)8/h2H,1H3,(H,5,6)(H2,4,7,8)
InChIKeyQFRAXSIOVXHFED-UHFFFAOYSA-N
MW153.16 g/mol
LogP-1.25
Rot. Bonds2

About 2-sulfamoylpropanoic acid

2-sulfamoylpropanoic acid (PubChem CID 19833533) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is 2-sulfamoylpropanoic acid.

Molecular Properties

Compound Name2-sulfamoylpropanoic acid
PubChem CID19833533
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name2-sulfamoylpropanoic acid
SMILESCC(C(=O)O)S(N)(=O)=O
InChIInChI=1S/C3H7NO4S/c1-2(3(5)6)9(4,7)8/h2H,1H3,(H,5,6)(H2,4,7,8)
InChIKeyQFRAXSIOVXHFED-UHFFFAOYSA-N
XLogP-1.25
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-sulfamoylpropanoic acid?
The IUPAC name of 2-sulfamoylpropanoic acid (CID 19833533) is 2-sulfamoylpropanoic acid.
What is the SMILES notation for 2-sulfamoylpropanoic acid?
The canonical SMILES for 2-sulfamoylpropanoic acid is CC(C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-sulfamoylpropanoic acid?
The InChIKey is QFRAXSIOVXHFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c1-2(3(5)6)9(4,7)8/h2H,1H3,(H,5,6)(H2,4,7,8).
What are the key properties of 2-sulfamoylpropanoic acid?
2-sulfamoylpropanoic acid has a molecular weight of 153.16 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylpropanoic acid is sourced from PubChem (CID 19833533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).