N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine

C17H28N2S — CID 107914251

IUPACN-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
SMILESCNC(C)c1ccc(SCCC2CCCCN2C)cc1
InChIInChI=1S/C17H28N2S/c1-14(18-2)15-7-9-17(10-8-15)20-13-11-16-6-4-5-12-19(16)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyRMDWNPUGAMSLIV-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.93
Rot. Bonds6

About N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine

N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine (PubChem CID 107914251) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
PubChem CID107914251
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
SMILESCNC(C)c1ccc(SCCC2CCCCN2C)cc1
InChIInChI=1S/C17H28N2S/c1-14(18-2)15-7-9-17(10-8-15)20-13-11-16-6-4-5-12-19(16)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyRMDWNPUGAMSLIV-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanone
CID 107914245
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine
CID 107914261
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine
CID 107913107
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine
CID 80695811
5-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43305678
4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 79148324
1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
CID 66218738
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine (CID 107914251) is N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine is CNC(C)c1ccc(SCCC2CCCCN2C)cc1.
What is the InChIKey of N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine?
The InChIKey is RMDWNPUGAMSLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-14(18-2)15-7-9-17(10-8-15)20-13-11-16-6-4-5-12-19(16)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine?
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine has a molecular weight of 292.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 107914251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).