3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid

C9H14N4O4S — CID 114176023

IUPAC3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNc1nccnc1C(=O)O
InChIInChI=1S/C9H14N4O4S/c1-13(2)18(16,17)6-5-12-8-7(9(14)15)10-3-4-11-8/h3-4H,5-6H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyWODYXZHQERLGHZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.52
Rot. Bonds6

About 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid

3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 114176023) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID114176023
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNc1nccnc1C(=O)O
InChIInChI=1S/C9H14N4O4S/c1-13(2)18(16,17)6-5-12-8-7(9(14)15)10-3-4-11-8/h3-4H,5-6H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyWODYXZHQERLGHZ-UHFFFAOYSA-N
XLogP-0.52
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sodium 3-(propylamino)pyrazine-2-carboxylate
CID 168277678
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291
3-(Methylamino)pyrazine-2-carboxylic acid
CID 20699543
Sodium 3-(ethylamino)pyrazine-2-carboxylate
CID 168273884
Sodium 3-(propan-2-ylamino)pyrazine-2-carboxylate
CID 168274911
Sodium 3-(butylamino)pyrazine-2-carboxylate
CID 168276952
Sodium 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylate
CID 168283787
Sodium 3-amino-5-(butylamino)pyrazine-2-carboxylate
CID 168293548
6-(Ethylamino)pyrazine-2-carboxylic acid
CID 14500876
3-[(2,2-Difluoro-ethyl)-methoxycarbonylmethanesulfonyl-amino]-pyrazine-2-carboxylic acid methyl ester
CID 59623759
3-(Propan-2-ylamino)pyrazine-2-carboxylic acid
CID 62710090
5-(Ethylamino)pyrazine-2-carboxylic acid
CID 64271678

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid (CID 114176023) is 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid is CN(C)S(=O)(=O)CCNc1nccnc1C(=O)O.
What is the InChIKey of 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is WODYXZHQERLGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-13(2)18(16,17)6-5-12-8-7(9(14)15)10-3-4-11-8/h3-4H,5-6H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid?
3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 114176023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).