[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine

C11H24N2S — CID 115741267

IUPAC[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
SMILESCCSCCCN1CCC(CN)CC1
InChIInChI=1S/C11H24N2S/c1-2-14-9-3-6-13-7-4-11(10-12)5-8-13/h11H,2-10,12H2,1H3
InChIKeyHMFDQHSGAFQZIA-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds6

About [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine

[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine (PubChem CID 115741267) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
PubChem CID115741267
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
SMILESCCSCCCN1CCC(CN)CC1
InChIInChI=1S/C11H24N2S/c1-2-14-9-3-6-13-7-4-11(10-12)5-8-13/h11H,2-10,12H2,1H3
InChIKeyHMFDQHSGAFQZIA-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.80
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-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 115741254
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine
CID 115741392
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 115741368
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
[1-(2-ethylsulfanylethyl)piperidin-4-yl]methanol
CID 111432876
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
CID 114395168
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol
CID 167423309
1-butyl-N-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 113373351
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961302

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine (CID 115741267) is [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine is CCSCCCN1CCC(CN)CC1.
What is the InChIKey of [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine?
The InChIKey is HMFDQHSGAFQZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-2-14-9-3-6-13-7-4-11(10-12)5-8-13/h11H,2-10,12H2,1H3.
What are the key properties of [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine?
[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 115741267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).