3-(pyrazin-2-ylsulfamoyl)propanoic acid

C7H9N3O4S — CID 43616113

IUPAC3-(pyrazin-2-ylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C7H9N3O4S/c11-7(12)1-4-15(13,14)10-6-5-8-2-3-9-6/h2-3,5H,1,4H2,(H,9,10)(H,11,12)
InChIKeyFWESYHGOKPZWGI-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.31
Rot. Bonds5

About 3-(pyrazin-2-ylsulfamoyl)propanoic acid

3-(pyrazin-2-ylsulfamoyl)propanoic acid (PubChem CID 43616113) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-(pyrazin-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(pyrazin-2-ylsulfamoyl)propanoic acid
PubChem CID43616113
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name3-(pyrazin-2-ylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C7H9N3O4S/c11-7(12)1-4-15(13,14)10-6-5-8-2-3-9-6/h2-3,5H,1,4H2,(H,9,10)(H,11,12)
InChIKeyFWESYHGOKPZWGI-UHFFFAOYSA-N
XLogP-0.31
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrazin-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 3-(pyrazin-2-ylsulfamoyl)propanoic acid (CID 43616113) is 3-(pyrazin-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(pyrazin-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(pyrazin-2-ylsulfamoyl)propanoic acid is O=C(O)CCS(=O)(=O)Nc1cnccn1.
What is the InChIKey of 3-(pyrazin-2-ylsulfamoyl)propanoic acid?
The InChIKey is FWESYHGOKPZWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c11-7(12)1-4-15(13,14)10-6-5-8-2-3-9-6/h2-3,5H,1,4H2,(H,9,10)(H,11,12).
What are the key properties of 3-(pyrazin-2-ylsulfamoyl)propanoic acid?
3-(pyrazin-2-ylsulfamoyl)propanoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazin-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 43616113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).