5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride

C15H18ClNS — CID 54609233

IUPAC5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride
SMILESCCc1ccc(CCSc2ccccc2)nc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-2-13-8-9-14(16-12-13)10-11-17-15-6-4-3-5-7-15;/h3-9,12H,2,10-11H2,1H3;1H
InChIKeyNJSDUWANLKOSKF-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.40
Rot. Bonds5

About 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride

5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride (PubChem CID 54609233) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride
PubChem CID54609233
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride
SMILESCCc1ccc(CCSc2ccccc2)nc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-2-13-8-9-14(16-12-13)10-11-17-15-6-4-3-5-7-15;/h3-9,12H,2,10-11H2,1H3;1H
InChIKeyNJSDUWANLKOSKF-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
1-butoxy-4-(2-phenylsulfanylethyl)benzene;pentahydrofluoride
CID 67939398
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
2-(chloromethyl)-5-(2-phenylsulfanylethoxy)pyridine
CID 79799835
(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
CID 125488024
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-amine
CID 79732693
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
CID 79740576
1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 79746277

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride?
The IUPAC name of 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride (CID 54609233) is 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride.
What is the SMILES notation for 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride?
The canonical SMILES for 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride is CCc1ccc(CCSc2ccccc2)nc1.Cl.
What is the InChIKey of 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride?
The InChIKey is NJSDUWANLKOSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-2-13-8-9-14(16-12-13)10-11-17-15-6-4-3-5-7-15;/h3-9,12H,2,10-11H2,1H3;1H.
What are the key properties of 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride?
5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride is sourced from PubChem (CID 54609233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).