N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine

C17H28N2S — CID 64666998

IUPACN-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCN2CCCCC2)c1
InChIInChI=1S/C17H28N2S/c1-3-18-15(2)16-8-7-9-17(14-16)20-13-12-19-10-5-4-6-11-19/h7-9,14-15,18H,3-6,10-13H2,1-2H3
InChIKeyYAYKDAUUJZKFQS-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine

N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine (PubChem CID 64666998) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine
PubChem CID64666998
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCN2CCCCC2)c1
InChIInChI=1S/C17H28N2S/c1-3-18-15(2)16-8-7-9-17(14-16)20-13-12-19-10-5-4-6-11-19/h7-9,14-15,18H,3-6,10-13H2,1-2H3
InChIKeyYAYKDAUUJZKFQS-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]-N-ethylethanamine
CID 64663802
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-2,2-dimethylbutanenitrile
CID 65251700
N-[[3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 82888283
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine
CID 65165461
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylbutanamide
CID 64663796
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine
CID 64664651

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine (CID 64666998) is N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine is CCNC(C)c1cccc(SCCN2CCCCC2)c1.
What is the InChIKey of N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine?
The InChIKey is YAYKDAUUJZKFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-18-15(2)16-8-7-9-17(14-16)20-13-12-19-10-5-4-6-11-19/h7-9,14-15,18H,3-6,10-13H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine has a molecular weight of 292.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 64666998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).