2-(2-hexylsulfanylethyl)pyridine

C13H21NS — CID 95562090

IUPAC2-(2-hexylsulfanylethyl)pyridine
SMILESCCCCCCSCCc1ccccn1
InChIInChI=1S/C13H21NS/c1-2-3-4-7-11-15-12-9-13-8-5-6-10-14-13/h5-6,8,10H,2-4,7,9,11-12H2,1H3
InChIKeyFEIVJOJBUCXIHK-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.94
Rot. Bonds8

About 2-(2-hexylsulfanylethyl)pyridine

2-(2-hexylsulfanylethyl)pyridine (PubChem CID 95562090) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-(2-hexylsulfanylethyl)pyridine.

Molecular Properties

Compound Name2-(2-hexylsulfanylethyl)pyridine
PubChem CID95562090
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-(2-hexylsulfanylethyl)pyridine
SMILESCCCCCCSCCc1ccccn1
InChIInChI=1S/C13H21NS/c1-2-3-4-7-11-15-12-9-13-8-5-6-10-14-13/h5-6,8,10H,2-4,7,9,11-12H2,1H3
InChIKeyFEIVJOJBUCXIHK-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-hexylsulfanylethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-undecylpyridine
CID 66882765
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
azanium;2-tetradecylpyridine;bromide
CID 157411341
chromium;2-pentylpyridine;hydrochloride
CID 175220071
1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol
CID 175519031
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
hydroxymethanone;2-undecylpyridine;zinc
CID 87363330
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-hexylpyridine;nitric acid
CID 174876958
1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]propan-2-ol
CID 175519037

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexylsulfanylethyl)pyridine?
The IUPAC name of 2-(2-hexylsulfanylethyl)pyridine (CID 95562090) is 2-(2-hexylsulfanylethyl)pyridine.
What is the SMILES notation for 2-(2-hexylsulfanylethyl)pyridine?
The canonical SMILES for 2-(2-hexylsulfanylethyl)pyridine is CCCCCCSCCc1ccccn1.
What is the InChIKey of 2-(2-hexylsulfanylethyl)pyridine?
The InChIKey is FEIVJOJBUCXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-3-4-7-11-15-12-9-13-8-5-6-10-14-13/h5-6,8,10H,2-4,7,9,11-12H2,1H3.
What are the key properties of 2-(2-hexylsulfanylethyl)pyridine?
2-(2-hexylsulfanylethyl)pyridine has a molecular weight of 223.38 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexylsulfanylethyl)pyridine is sourced from PubChem (CID 95562090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).