2-decyl-3-ethylsulfanylpyrazine

C16H28N2S — CID 528300

IUPAC2-decyl-3-ethylsulfanylpyrazine
SMILESCCCCCCCCCCc1nccnc1SCC
InChIInChI=1S/C16H28N2S/c1-3-5-6-7-8-9-10-11-12-15-16(19-4-2)18-14-13-17-15/h13-14H,3-12H2,1-2H3
InChIKeyTWSNPHWLYURUAE-UHFFFAOYSA-N
MW280.48 g/mol
LogP5.27
Rot. Bonds11

About 2-decyl-3-ethylsulfanylpyrazine

2-decyl-3-ethylsulfanylpyrazine (PubChem CID 528300) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-decyl-3-ethylsulfanylpyrazine.

Molecular Properties

Compound Name2-decyl-3-ethylsulfanylpyrazine
PubChem CID528300
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-decyl-3-ethylsulfanylpyrazine
SMILESCCCCCCCCCCc1nccnc1SCC
InChIInChI=1S/C16H28N2S/c1-3-5-6-7-8-9-10-11-12-15-16(19-4-2)18-14-13-17-15/h13-14H,3-12H2,1-2H3
InChIKeyTWSNPHWLYURUAE-UHFFFAOYSA-N
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-3-octylpyrazine
CID 528316
2-decyl-3-methoxypyrazine
CID 528301
3-decylsulfanylpyrazin-2-amine
CID 106678948
2-octylpyridin-3-amine
CID 23131469
2-dodecyl-3-ethylpyridine
CID 160514040
2-decyl-3,4-diethylpyridine
CID 150975827
3-octylsulfanylpyrazin-2-amine
CID 106678549
2-hexyl-3-hydroxypyridine-4-carbonitrile
CID 146507438
4,5,6-trioctylpyrimidine
CID 91147699
2-heptyl-1,3,5-triazine;hydrofluoride
CID 174939388
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
3,4-dimethyl-2-pentylpyridine
CID 86118015

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-ethylsulfanylpyrazine?
The IUPAC name of 2-decyl-3-ethylsulfanylpyrazine (CID 528300) is 2-decyl-3-ethylsulfanylpyrazine.
What is the SMILES notation for 2-decyl-3-ethylsulfanylpyrazine?
The canonical SMILES for 2-decyl-3-ethylsulfanylpyrazine is CCCCCCCCCCc1nccnc1SCC.
What is the InChIKey of 2-decyl-3-ethylsulfanylpyrazine?
The InChIKey is TWSNPHWLYURUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-5-6-7-8-9-10-11-12-15-16(19-4-2)18-14-13-17-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-decyl-3-ethylsulfanylpyrazine?
2-decyl-3-ethylsulfanylpyrazine has a molecular weight of 280.48 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-ethylsulfanylpyrazine is sourced from PubChem (CID 528300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).