1-ethylsulfanyl-3-methylcyclopentane

C8H16S — CID 91268071

IUPAC1-ethylsulfanyl-3-methylcyclopentane
SMILESCCSC1CCC(C)C1
InChIInChI=1S/C8H16S/c1-3-9-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyJMCAPGSQXOWTOH-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.93
Rot. Bonds2

About 1-ethylsulfanyl-3-methylcyclopentane

1-ethylsulfanyl-3-methylcyclopentane (PubChem CID 91268071) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-methylcyclopentane.

Molecular Properties

Compound Name1-ethylsulfanyl-3-methylcyclopentane
PubChem CID91268071
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name1-ethylsulfanyl-3-methylcyclopentane
SMILESCCSC1CCC(C)C1
InChIInChI=1S/C8H16S/c1-3-9-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyJMCAPGSQXOWTOH-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylsulfanyl-4-methylcyclohexane
CID 118564055
ethylsulfanylcycloheptane
CID 67666697
2-ethylsulfanyl-4-methyloxane
CID 123504399
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441
ethylsulfanylcyclohexane;hydrate
CID 154657680
3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
CID 115907891
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
1-methyl-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 130891059
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-methylcyclopentane?
The IUPAC name of 1-ethylsulfanyl-3-methylcyclopentane (CID 91268071) is 1-ethylsulfanyl-3-methylcyclopentane.
What is the SMILES notation for 1-ethylsulfanyl-3-methylcyclopentane?
The canonical SMILES for 1-ethylsulfanyl-3-methylcyclopentane is CCSC1CCC(C)C1.
What is the InChIKey of 1-ethylsulfanyl-3-methylcyclopentane?
The InChIKey is JMCAPGSQXOWTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-3-9-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-3-methylcyclopentane?
1-ethylsulfanyl-3-methylcyclopentane has a molecular weight of 144.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-methylcyclopentane is sourced from PubChem (CID 91268071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).