6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide

C9H12ClN3O2S — CID 106551326

IUPAC6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
SMILESCCS(=O)CCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O2S/c1-2-16(15)4-3-12-9(14)7-5-11-6-8(10)13-7/h5-6H,2-4H2,1H3,(H,12,14)
InChIKeyFDURXFUHQZCJDY-UHFFFAOYSA-N
MW261.73 g/mol
LogP0.63
Rot. Bonds5

About 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide

6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide (PubChem CID 106551326) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
PubChem CID106551326
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
SMILESCCS(=O)CCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O2S/c1-2-16(15)4-3-12-9(14)7-5-11-6-8(10)13-7/h5-6H,2-4H2,1H3,(H,12,14)
InChIKeyFDURXFUHQZCJDY-UHFFFAOYSA-N
XLogP0.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
N-(2-ethylsulfinylethyl)-5-hydroxypyridine-3-carboxamide
CID 115633331
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
CID 115627342
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
CID 106551219
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide (CID 106551326) is 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide is CCS(=O)CCNC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
The InChIKey is FDURXFUHQZCJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-2-16(15)4-3-12-9(14)7-5-11-6-8(10)13-7/h5-6H,2-4H2,1H3,(H,12,14).
What are the key properties of 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).