3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid

C9H13N3O4S — CID 62845559

IUPAC3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
SMILESCc1cnc(CNS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C9H13N3O4S/c1-7-4-11-8(5-10-7)6-12-17(15,16)3-2-9(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeySGTHRKSOUQKLSV-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.32
Rot. Bonds6

About 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid

3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid (PubChem CID 62845559) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
PubChem CID62845559
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
SMILESCc1cnc(CNS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C9H13N3O4S/c1-7-4-11-8(5-10-7)6-12-17(15,16)3-2-9(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeySGTHRKSOUQKLSV-UHFFFAOYSA-N
XLogP-0.32
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid (CID 62845559) is 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid is Cc1cnc(CNS(=O)(=O)CCC(=O)O)cn1.
What is the InChIKey of 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
The InChIKey is SGTHRKSOUQKLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-7-4-11-8(5-10-7)6-12-17(15,16)3-2-9(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid has a molecular weight of 259.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 62845559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).