5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid

C9H14N4O4S — CID 122053496

IUPAC5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
SMILESCCS(=O)(=O)NCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H14N4O4S/c1-2-18(16,17)13-4-3-10-8-6-11-7(5-12-8)9(14)15/h5-6,13H,2-4H2,1H3,(H,10,12)(H,14,15)
InChIKeyBADOZDVGZLHZNE-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.47
Rot. Bonds7

About 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid

5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122053496) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
PubChem CID122053496
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
SMILESCCS(=O)(=O)NCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H14N4O4S/c1-2-18(16,17)13-4-3-10-8-6-11-7(5-12-8)9(14)15/h5-6,13H,2-4H2,1H3,(H,10,12)(H,14,15)
InChIKeyBADOZDVGZLHZNE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
CID 107372559
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-[(5-methoxy-4,4-dimethylpentyl)amino]pyrazine-2-carboxylic acid
CID 122057461
5-[3-(2-methylpropylsulfanyl)propylamino]pyrazine-2-carboxylic acid
CID 122054578
5-[(2,2-diethyl-4-hydroxybutyl)amino]pyrazine-2-carboxylic acid
CID 122054100
5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 107372352
5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
CID 122058141
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid (CID 122053496) is 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid is CCS(=O)(=O)NCCNc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is BADOZDVGZLHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-2-18(16,17)13-4-3-10-8-6-11-7(5-12-8)9(14)15/h5-6,13H,2-4H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(ethylsulfonylamino)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 5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).