1-(3-ethylsulfanylpropyl)piperidin-4-amine

C10H22N2S — CID 115741254

IUPAC1-(3-ethylsulfanylpropyl)piperidin-4-amine
SMILESCCSCCCN1CCC(N)CC1
InChIInChI=1S/C10H22N2S/c1-2-13-9-3-6-12-7-4-10(11)5-8-12/h10H,2-9,11H2,1H3
InChIKeyXNZLVSRAVUJQMX-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)piperidin-4-amine

1-(3-ethylsulfanylpropyl)piperidin-4-amine (PubChem CID 115741254) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)piperidin-4-amine
PubChem CID115741254
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-(3-ethylsulfanylpropyl)piperidin-4-amine
SMILESCCSCCCN1CCC(N)CC1
InChIInChI=1S/C10H22N2S/c1-2-13-9-3-6-12-7-4-10(11)5-8-12/h10H,2-9,11H2,1H3
InChIKeyXNZLVSRAVUJQMX-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
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-yl]methanamine
CID 115741267
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 115741368
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine
CID 115741392
ethane;1-pentylpiperidin-4-amine
CID 142516102
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473943
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine
CID 103575497
[1-(2-ethylsulfanylethyl)piperidin-4-yl]methanol
CID 111432876
1-butyl-N-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 113373351
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)piperidin-4-amine?
The IUPAC name of 1-(3-ethylsulfanylpropyl)piperidin-4-amine (CID 115741254) is 1-(3-ethylsulfanylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)piperidin-4-amine is CCSCCCN1CCC(N)CC1.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)piperidin-4-amine?
The InChIKey is XNZLVSRAVUJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-2-13-9-3-6-12-7-4-10(11)5-8-12/h10H,2-9,11H2,1H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)piperidin-4-amine?
1-(3-ethylsulfanylpropyl)piperidin-4-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 5 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-amine is sourced from PubChem (CID 115741254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).