methyl 4-(pyrazin-2-ylsulfamoyl)butanoate

C9H13N3O4S — CID 54952380

IUPACmethyl 4-(pyrazin-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C9H13N3O4S/c1-16-9(13)3-2-6-17(14,15)12-8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyLKBSNXKNVAFQLM-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.17
Rot. Bonds6

About methyl 4-(pyrazin-2-ylsulfamoyl)butanoate

methyl 4-(pyrazin-2-ylsulfamoyl)butanoate (PubChem CID 54952380) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 4-(pyrazin-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(pyrazin-2-ylsulfamoyl)butanoate
PubChem CID54952380
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Namemethyl 4-(pyrazin-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C9H13N3O4S/c1-16-9(13)3-2-6-17(14,15)12-8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyLKBSNXKNVAFQLM-UHFFFAOYSA-N
XLogP0.17
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(pyrazin-2-ylsulfamoyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyrazin-2-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(pyrazin-2-ylsulfamoyl)butanoate (CID 54952380) is methyl 4-(pyrazin-2-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(pyrazin-2-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(pyrazin-2-ylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)Nc1cnccn1.
What is the InChIKey of methyl 4-(pyrazin-2-ylsulfamoyl)butanoate?
The InChIKey is LKBSNXKNVAFQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-16-9(13)3-2-6-17(14,15)12-8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,11,12).
What are the key properties of methyl 4-(pyrazin-2-ylsulfamoyl)butanoate?
methyl 4-(pyrazin-2-ylsulfamoyl)butanoate has a molecular weight of 259.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyrazin-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 54952380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).