2-(2-cyclopentylethylsulfanyl)ethylcyclopentane

C14H26S — CID 90476031

IUPAC2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
SMILESC1CCC(CCSCCC2CCCC2)C1
InChIInChI=1S/C14H26S/c1-2-6-13(5-1)9-11-15-12-10-14-7-3-4-8-14/h13-14H,1-12H2
InChIKeyFQJDTALUALIWQU-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.88
Rot. Bonds6

About 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane

2-(2-cyclopentylethylsulfanyl)ethylcyclopentane (PubChem CID 90476031) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane.

Molecular Properties

Compound Name2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
PubChem CID90476031
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
SMILESC1CCC(CCSCCC2CCCC2)C1
InChIInChI=1S/C14H26S/c1-2-6-13(5-1)9-11-15-12-10-14-7-3-4-8-14/h13-14H,1-12H2
InChIKeyFQJDTALUALIWQU-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanylethylcyclohexane
CID 89032228
2-heptylsulfanylethylcyclohexane
CID 557257
2-methylsulfanylethylcyclohexane
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2-but-3-ynylsulfanylethylcyclopropane
CID 130978017
3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
CID 63120213
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
4-(2-cyclopropylethylsulfanyl)butan-2-amine
CID 66234186
2-(2-piperidin-4-ylethylsulfanyl)ethanamine
CID 105061316
2-(2-methylpropylsulfanyl)ethylcyclopropane
CID 130718776
3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol
CID 66126809
3-cyclobutylpropylcyclohexane
CID 54165208

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane?
The IUPAC name of 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane (CID 90476031) is 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane.
What is the SMILES notation for 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane?
The canonical SMILES for 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane is C1CCC(CCSCCC2CCCC2)C1.
What is the InChIKey of 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane?
The InChIKey is FQJDTALUALIWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-2-6-13(5-1)9-11-15-12-10-14-7-3-4-8-14/h13-14H,1-12H2.
What are the key properties of 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane?
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane has a molecular weight of 226.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylsulfanyl)ethylcyclopentane is sourced from PubChem (CID 90476031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).