6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid

C9H14N4O4S — CID 106339900

IUPAC6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H14N4O4S/c1-2-12-18(16,17)4-3-11-8-6-10-5-7(13-8)9(14)15/h5-6,12H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyCBGIBQJXNYXQFQ-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.47
Rot. Bonds7

About 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid

6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 106339900) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID106339900
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H14N4O4S/c1-2-12-18(16,17)4-3-11-8-6-10-5-7(13-8)9(14)15/h5-6,12H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyCBGIBQJXNYXQFQ-UHFFFAOYSA-N
XLogP-0.47
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid (CID 106339900) is 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid is CCNS(=O)(=O)CCNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is CBGIBQJXNYXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-2-12-18(16,17)4-3-11-8-6-10-5-7(13-8)9(14)15/h5-6,12H,2-4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 106339900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).