4-(5-ethylsulfanylpentyl)pyridine

C12H19NS — CID 91563138

IUPAC4-(5-ethylsulfanylpentyl)pyridine
SMILESCCSCCCCCc1ccncc1
InChIInChI=1S/C12H19NS/c1-2-14-11-5-3-4-6-12-7-9-13-10-8-12/h7-10H,2-6,11H2,1H3
InChIKeyZRTLCLKVIQSKNV-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.55
Rot. Bonds7

About 4-(5-ethylsulfanylpentyl)pyridine

4-(5-ethylsulfanylpentyl)pyridine (PubChem CID 91563138) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-(5-ethylsulfanylpentyl)pyridine.

Molecular Properties

Compound Name4-(5-ethylsulfanylpentyl)pyridine
PubChem CID91563138
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-(5-ethylsulfanylpentyl)pyridine
SMILESCCSCCCCCc1ccncc1
InChIInChI=1S/C12H19NS/c1-2-14-11-5-3-4-6-12-7-9-13-10-8-12/h7-10H,2-6,11H2,1H3
InChIKeyZRTLCLKVIQSKNV-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylsulfanylbutyl)pyridine
CID 173323988
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
5-ethylsulfanylpentylbenzene
CID 90738401
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-(6-bromohexyl)pyridine
CID 10633887
5-pyridin-4-ylpentylazanium chloride
CID 23273749
3-(2-pyridin-4-ylethylsulfanyl)propan-1-amine
CID 66219281
4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine
CID 70847983
4-nonadec-10-enylpyridine
CID 71356376
4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfanylpentyl)pyridine?
The IUPAC name of 4-(5-ethylsulfanylpentyl)pyridine (CID 91563138) is 4-(5-ethylsulfanylpentyl)pyridine.
What is the SMILES notation for 4-(5-ethylsulfanylpentyl)pyridine?
The canonical SMILES for 4-(5-ethylsulfanylpentyl)pyridine is CCSCCCCCc1ccncc1.
What is the InChIKey of 4-(5-ethylsulfanylpentyl)pyridine?
The InChIKey is ZRTLCLKVIQSKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-14-11-5-3-4-6-12-7-9-13-10-8-12/h7-10H,2-6,11H2,1H3.
What are the key properties of 4-(5-ethylsulfanylpentyl)pyridine?
4-(5-ethylsulfanylpentyl)pyridine has a molecular weight of 209.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfanylpentyl)pyridine is sourced from PubChem (CID 91563138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).