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

C8H11N3O4S — CID 62845736

IUPAC2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid
SMILESCc1cnc(CNS(=O)(=O)CC(=O)O)cn1
InChIInChI=1S/C8H11N3O4S/c1-6-2-10-7(3-9-6)4-11-16(14,15)5-8(12)13/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyMNTPHAJFQWIYRP-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.71
Rot. Bonds5

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

2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid (PubChem CID 62845736) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid
PubChem CID62845736
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid
SMILESCc1cnc(CNS(=O)(=O)CC(=O)O)cn1
InChIInChI=1S/C8H11N3O4S/c1-6-2-10-7(3-9-6)4-11-16(14,15)5-8(12)13/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyMNTPHAJFQWIYRP-UHFFFAOYSA-N
XLogP-0.71
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.71
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]acetic acid?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid (CID 62845736) is 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid is Cc1cnc(CNS(=O)(=O)CC(=O)O)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid?
The InChIKey is MNTPHAJFQWIYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-6-2-10-7(3-9-6)4-11-16(14,15)5-8(12)13/h2-3,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid?
2-[(5-methylpyrazin-2-yl)methylsulfamoyl]acetic acid has a molecular weight of 245.26 g/mol, XLogP of -0.71, 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]acetic acid is sourced from PubChem (CID 62845736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).