N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide

C13H19N3OS — CID 96526700

IUPACN-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCCS[C@@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H19N3OS/c1-3-18-12-6-4-5-10(12)16-13(17)11-8-14-9(2)7-15-11/h7-8,10,12H,3-6H2,1-2H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyNSDAJITZLJVWIC-ZYHUDNBSSA-N
MW265.38 g/mol
LogP2.19
Rot. Bonds4

About N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide

N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide (PubChem CID 96526700) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
PubChem CID96526700
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCCS[C@@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H19N3OS/c1-3-18-12-6-4-5-10(12)16-13(17)11-8-14-9(2)7-15-11/h7-8,10,12H,3-6H2,1-2H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyNSDAJITZLJVWIC-ZYHUDNBSSA-N
XLogP2.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689106
2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide
CID 114219706
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103727551
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114122098
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
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 N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide (CID 96526700) is N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide is CCS[C@@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1.
What is the InChIKey of N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is NSDAJITZLJVWIC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-18-12-6-4-5-10(12)16-13(17)11-8-14-9(2)7-15-11/h7-8,10,12H,3-6H2,1-2H3,(H,16,17)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 96526700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).