[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine

C11H24N2S — CID 114961302

IUPAC[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
SMILESCCSCCN1CCC(C)C(CN)C1
InChIInChI=1S/C11H24N2S/c1-3-14-7-6-13-5-4-10(2)11(8-12)9-13/h10-11H,3-9,12H2,1-2H3
InChIKeyGSDVLQOPYKUWTK-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.66
Rot. Bonds5

About [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine

[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961302) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114961302
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
SMILESCCSCCN1CCC(C)C(CN)C1
InChIInChI=1S/C11H24N2S/c1-3-14-7-6-13-5-4-10(2)11(8-12)9-13/h10-11H,3-9,12H2,1-2H3
InChIKeyGSDVLQOPYKUWTK-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine (CID 114961302) is [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine is CCSCCN1CCC(C)C(CN)C1.
What is the InChIKey of [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is GSDVLQOPYKUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-14-7-6-13-5-4-10(2)11(8-12)9-13/h10-11H,3-9,12H2,1-2H3.
What are the key properties of [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine?
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 216.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).