2-(pyrazin-2-ylsulfamoyl)propanoic acid

C7H9N3O4S — CID 61455072

IUPAC2-(pyrazin-2-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C7H9N3O4S/c1-5(7(11)12)15(13,14)10-6-4-8-2-3-9-6/h2-5H,1H3,(H,9,10)(H,11,12)
InChIKeyJZCPZAFQNQIIBK-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.31
Rot. Bonds4

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

2-(pyrazin-2-ylsulfamoyl)propanoic acid (PubChem CID 61455072) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(pyrazin-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(pyrazin-2-ylsulfamoyl)propanoic acid
PubChem CID61455072
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-(pyrazin-2-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C7H9N3O4S/c1-5(7(11)12)15(13,14)10-6-4-8-2-3-9-6/h2-5H,1H3,(H,9,10)(H,11,12)
InChIKeyJZCPZAFQNQIIBK-UHFFFAOYSA-N
XLogP-0.31
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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 2-(pyrazin-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(pyrazin-2-ylsulfamoyl)propanoic acid (CID 61455072) is 2-(pyrazin-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(pyrazin-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(pyrazin-2-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylsulfamoyl)propanoic acid?
The InChIKey is JZCPZAFQNQIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-5(7(11)12)15(13,14)10-6-4-8-2-3-9-6/h2-5H,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(pyrazin-2-ylsulfamoyl)propanoic acid?
2-(pyrazin-2-ylsulfamoyl)propanoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61455072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).