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

C9H13N3O4S — CID 55121799

IUPAC2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
SMILESCc1cnc(CNS(=O)(=O)C(C)C(=O)O)cn1
InChIInChI=1S/C9H13N3O4S/c1-6-3-11-8(4-10-6)5-12-17(15,16)7(2)9(13)14/h3-4,7,12H,5H2,1-2H3,(H,13,14)
InChIKeyGOXAOOHEMLODOE-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.32
Rot. Bonds5

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

2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid (PubChem CID 55121799) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
PubChem CID55121799
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
SMILESCc1cnc(CNS(=O)(=O)C(C)C(=O)O)cn1
InChIInChI=1S/C9H13N3O4S/c1-6-3-11-8(4-10-6)5-12-17(15,16)7(2)9(13)14/h3-4,7,12H,5H2,1-2H3,(H,13,14)
InChIKeyGOXAOOHEMLODOE-UHFFFAOYSA-N
XLogP-0.32
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid (CID 55121799) is 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid is Cc1cnc(CNS(=O)(=O)C(C)C(=O)O)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
The InChIKey is GOXAOOHEMLODOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-6-3-11-8(4-10-6)5-12-17(15,16)7(2)9(13)14/h3-4,7,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid?
2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid has a molecular weight of 259.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 55121799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).