5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid

C14H19N3O3S — CID 120689106

IUPAC5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCSC1CCCCC1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C14H19N3O3S/c1-2-21-12-6-4-3-5-9(12)17-13(18)10-7-16-11(8-15-10)14(19)20/h7-9,12H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyFFJRLZITVSEUMY-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.97
Rot. Bonds5

About 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120689106) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120689106
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCSC1CCCCC1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C14H19N3O3S/c1-2-21-12-6-4-3-5-9(12)17-13(18)10-7-16-11(8-15-10)14(19)20/h7-9,12H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyFFJRLZITVSEUMY-UHFFFAOYSA-N
XLogP1.97
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide
CID 114219706
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103727551
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119818847
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120689106) is 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid is CCSC1CCCCC1NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is FFJRLZITVSEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-21-12-6-4-3-5-9(12)17-13(18)10-7-16-11(8-15-10)14(19)20/h7-9,12H,2-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).