4-(pyrazin-2-ylsulfamoyl)butanoic acid

C8H11N3O4S — CID 43616112

IUPAC4-(pyrazin-2-ylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C8H11N3O4S/c12-8(13)2-1-5-16(14,15)11-7-6-9-3-4-10-7/h3-4,6H,1-2,5H2,(H,10,11)(H,12,13)
InChIKeyYIKOCGHTDITXEY-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.08
Rot. Bonds6

About 4-(pyrazin-2-ylsulfamoyl)butanoic acid

4-(pyrazin-2-ylsulfamoyl)butanoic acid (PubChem CID 43616112) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(pyrazin-2-ylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(pyrazin-2-ylsulfamoyl)butanoic acid
PubChem CID43616112
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name4-(pyrazin-2-ylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C8H11N3O4S/c12-8(13)2-1-5-16(14,15)11-7-6-9-3-4-10-7/h3-4,6H,1-2,5H2,(H,10,11)(H,12,13)
InChIKeyYIKOCGHTDITXEY-UHFFFAOYSA-N
XLogP0.08
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrazin-2-ylsulfamoyl)butanoic acid?
The IUPAC name of 4-(pyrazin-2-ylsulfamoyl)butanoic acid (CID 43616112) is 4-(pyrazin-2-ylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(pyrazin-2-ylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(pyrazin-2-ylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)Nc1cnccn1.
What is the InChIKey of 4-(pyrazin-2-ylsulfamoyl)butanoic acid?
The InChIKey is YIKOCGHTDITXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c12-8(13)2-1-5-16(14,15)11-7-6-9-3-4-10-7/h3-4,6H,1-2,5H2,(H,10,11)(H,12,13).
What are the key properties of 4-(pyrazin-2-ylsulfamoyl)butanoic acid?
4-(pyrazin-2-ylsulfamoyl)butanoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazin-2-ylsulfamoyl)butanoic acid is sourced from PubChem (CID 43616112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).