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

2-N-Ethylamino-1-(4-methylthiophenyl)propane
CID 21978439
N-methyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882957
2-N-Allylamino-1-(4-methylthiophenyl)propan
CID 44613067
2-N-Propargylamino-1-(4-methylthiophenyl)propane
CID 44613068
2-N-Methylamino-1-(4-ethylthiophenyl)propane
CID 44613451
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
2-N-Methylamino-1-(4-methylthiophenyl)butane
CID 44613575
2-N-Ethylamino-1-(4-methylthiophenyl)butane
CID 44613576
2-N-(n-Propyl)amino-1-(4-methylthiophenyl)butane
CID 44613577
2-N-Cyclopropylamino-1-(4-methylthiophenyl)butane
CID 44613579
2-N-Propargylamino-1-(4-methylthiophenyl)butane
CID 44613580
1-(4-Benzylsulfanyl-phenyl)-propylamine
CID 46882993

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).