N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine

C14H22N2S — CID 134131930

IUPACN-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
SMILESCNCCN1CCC(Sc2ccccc2)CC1
InChIInChI=1S/C14H22N2S/c1-15-9-12-16-10-7-14(8-11-16)17-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyMKHPOZKKYPKPKO-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine

N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine (PubChem CID 134131930) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
PubChem CID134131930
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
SMILESCNCCN1CCC(Sc2ccccc2)CC1
InChIInChI=1S/C14H22N2S/c1-15-9-12-16-10-7-14(8-11-16)17-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyMKHPOZKKYPKPKO-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine (CID 134131930) is N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine is CNCCN1CCC(Sc2ccccc2)CC1.
What is the InChIKey of N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine?
The InChIKey is MKHPOZKKYPKPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-15-9-12-16-10-7-14(8-11-16)17-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine?
N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 134131930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).