1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine

C15H24N2S — CID 120837970

IUPAC1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CCSCc2ccccc2)C1
InChIInChI=1S/C15H24N2S/c1-16-15-8-5-9-17(12-15)10-11-18-13-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyLMFRHBLGTHOIFY-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.60
Rot. Bonds6

About 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine

1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine (PubChem CID 120837970) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
PubChem CID120837970
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CCSCc2ccccc2)C1
InChIInChI=1S/C15H24N2S/c1-16-15-8-5-9-17(12-15)10-11-18-13-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyLMFRHBLGTHOIFY-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 120839732
(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride
CID 120845971
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(3S,4R)-1-(2-benzylsulfanylethyl)-3-methylpiperidin-4-ol
CID 129429343
1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
CID 115741362
1-(2-benzylsulfanylethyl)pyrrolidin-3-amine
CID 120837473
1-[1-(2-benzylsulfanylethyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842714
3-(2-benzylsulfanylethyl)-3,9-diazabicyclo[3.3.1]nonane
CID 120845706
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine
CID 66569635
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
CID 62545645
N-methyl-1-[2-(N-methylanilino)ethyl]piperidin-3-amine;dihydrochloride
CID 119918743

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine (CID 120837970) is 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine is CNC1CCCN(CCSCc2ccccc2)C1.
What is the InChIKey of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine?
The InChIKey is LMFRHBLGTHOIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-16-15-8-5-9-17(12-15)10-11-18-13-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3.
What are the key properties of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine?
1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine has a molecular weight of 264.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 120837970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).