3-(oxetan-3-ylsulfanyl)cyclopentan-1-one

C8H12O2S — CID 79326195

IUPAC3-(oxetan-3-ylsulfanyl)cyclopentan-1-one
SMILESO=C1CCC(SC2COC2)C1
InChIInChI=1S/C8H12O2S/c9-6-1-2-7(3-6)11-8-4-10-5-8/h7-8H,1-5H2
InChIKeyRFAWOEYIUWGBQN-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.24
Rot. Bonds2

About 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one

3-(oxetan-3-ylsulfanyl)cyclopentan-1-one (PubChem CID 79326195) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(oxetan-3-ylsulfanyl)cyclopentan-1-one
PubChem CID79326195
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3-(oxetan-3-ylsulfanyl)cyclopentan-1-one
SMILESO=C1CCC(SC2COC2)C1
InChIInChI=1S/C8H12O2S/c9-6-1-2-7(3-6)11-8-4-10-5-8/h7-8H,1-5H2
InChIKeyRFAWOEYIUWGBQN-UHFFFAOYSA-N
XLogP1.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropylsulfanylcyclopentan-1-one
CID 58370066
3-[3-(3-oxocyclopentyl)sulfanylpropylsulfanyl]cyclopentan-1-one
CID 86040868
(3R)-3-phenylsulfanylcyclopentan-1-one
CID 71347132
3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one
CID 106495095
4-methyl-3-(oxan-4-ylsulfanyl)cyclohexan-1-one
CID 165497206
3-(3-methylphenyl)sulfanylcyclopentan-1-one
CID 64724457
3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one
CID 107781219
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
3-ethylsulfanylcyclohexan-1-one
CID 11815998
3-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-one
CID 66136391
(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
CID 71387530
bicyclo[4.2.1]nonane-3,9-dione
CID 100914259

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one?
The IUPAC name of 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one (CID 79326195) is 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one.
What is the SMILES notation for 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one?
The canonical SMILES for 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one is O=C1CCC(SC2COC2)C1.
What is the InChIKey of 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one?
The InChIKey is RFAWOEYIUWGBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c9-6-1-2-7(3-6)11-8-4-10-5-8/h7-8H,1-5H2.
What are the key properties of 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one?
3-(oxetan-3-ylsulfanyl)cyclopentan-1-one has a molecular weight of 172.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-ylsulfanyl)cyclopentan-1-one is sourced from PubChem (CID 79326195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).