N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine

C16H26N2S — CID 107914261

IUPACN-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCCC2CCCCN2C)c1
InChIInChI=1S/C16H26N2S/c1-17-13-14-6-5-8-16(12-14)19-11-9-15-7-3-4-10-18(15)2/h5-6,8,12,15,17H,3-4,7,9-11,13H2,1-2H3
InChIKeyHQOKPOMMQAGQJZ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.37
Rot. Bonds6

About N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine

N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine (PubChem CID 107914261) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine
PubChem CID107914261
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCCC2CCCCN2C)c1
InChIInChI=1S/C16H26N2S/c1-17-13-14-6-5-8-16(12-14)19-11-9-15-7-3-4-10-18(15)2/h5-6,8,12,15,17H,3-4,7,9-11,13H2,1-2H3
InChIKeyHQOKPOMMQAGQJZ-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine
CID 107913072
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine
CID 66349185
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanone
CID 107914245
N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347703
N-methyl-1-[3-(oxan-2-ylmethylsulfanyl)phenyl]methanamine
CID 66346845
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
1-(3-but-3-enylsulfanylphenyl)-N-methylmethanamine
CID 66347044
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911149

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine (CID 107914261) is N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine is CNCc1cccc(SCCC2CCCCN2C)c1.
What is the InChIKey of N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine?
The InChIKey is HQOKPOMMQAGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-17-13-14-6-5-8-16(12-14)19-11-9-15-7-3-4-10-18(15)2/h5-6,8,12,15,17H,3-4,7,9-11,13H2,1-2H3.
What are the key properties of N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine?
N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine has a molecular weight of 278.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 107914261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).