3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine

C13H25NS — CID 63120213

IUPAC3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
SMILESC1CNCC(CCSCC2CCCC2)C1
InChIInChI=1S/C13H25NS/c1-2-5-13(4-1)11-15-9-7-12-6-3-8-14-10-12/h12-14H,1-11H2
InChIKeyAQHVOWIETKLVIQ-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds5

About 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine

3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine (PubChem CID 63120213) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
PubChem CID63120213
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
SMILESC1CNCC(CCSCC2CCCC2)C1
InChIInChI=1S/C13H25NS/c1-2-5-13(4-1)11-15-9-7-12-6-3-8-14-10-12/h12-14H,1-11H2
InChIKeyAQHVOWIETKLVIQ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol
CID 66126809
methyl 3-(2-piperidin-3-ylethylsulfanyl)propanoate
CID 62356884
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
3-(2,2-dimethylpropylsulfanylmethyl)piperidine
CID 115070779
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
3-(methylsulfanylmethyl)piperidine
CID 22276228
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
CID 90476031
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
N-(2-piperidin-3-ylethyl)cycloheptanamine
CID 62675109
3-(3-methylbutyl)piperidine
CID 53409753
3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 62357559

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine?
The IUPAC name of 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine (CID 63120213) is 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine?
The canonical SMILES for 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine is C1CNCC(CCSCC2CCCC2)C1.
What is the InChIKey of 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine?
The InChIKey is AQHVOWIETKLVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-2-5-13(4-1)11-15-9-7-12-6-3-8-14-10-12/h12-14H,1-11H2.
What are the key properties of 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine?
3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine is sourced from PubChem (CID 63120213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).