3-ethyl-1-(2-phenylsulfanylethyl)piperidine

C15H23NS — CID 78993201

IUPAC3-ethyl-1-(2-phenylsulfanylethyl)piperidine
SMILESCCC1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C15H23NS/c1-2-14-7-6-10-16(13-14)11-12-17-15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-13H2,1H3
InChIKeyWRSRTVJALIQEQF-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.90
Rot. Bonds5

About 3-ethyl-1-(2-phenylsulfanylethyl)piperidine

3-ethyl-1-(2-phenylsulfanylethyl)piperidine (PubChem CID 78993201) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 3-ethyl-1-(2-phenylsulfanylethyl)piperidine.

Molecular Properties

Compound Name3-ethyl-1-(2-phenylsulfanylethyl)piperidine
PubChem CID78993201
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name3-ethyl-1-(2-phenylsulfanylethyl)piperidine
SMILESCCC1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C15H23NS/c1-2-14-7-6-10-16(13-14)11-12-17-15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-13H2,1H3
InChIKeyWRSRTVJALIQEQF-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
CID 63267521
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
3-methyl-1-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223382
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
CID 62560982
1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one
CID 95771278
(1R,5S)-3-(2-phenylsulfanylethyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 122561047

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-phenylsulfanylethyl)piperidine?
The IUPAC name of 3-ethyl-1-(2-phenylsulfanylethyl)piperidine (CID 78993201) is 3-ethyl-1-(2-phenylsulfanylethyl)piperidine.
What is the SMILES notation for 3-ethyl-1-(2-phenylsulfanylethyl)piperidine?
The canonical SMILES for 3-ethyl-1-(2-phenylsulfanylethyl)piperidine is CCC1CCCN(CCSc2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-(2-phenylsulfanylethyl)piperidine?
The InChIKey is WRSRTVJALIQEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-14-7-6-10-16(13-14)11-12-17-15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-13H2,1H3.
What are the key properties of 3-ethyl-1-(2-phenylsulfanylethyl)piperidine?
3-ethyl-1-(2-phenylsulfanylethyl)piperidine has a molecular weight of 249.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-phenylsulfanylethyl)piperidine is sourced from PubChem (CID 78993201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).