2-cyclopentylsulfinylcyclohexan-1-one

C11H18O2S — CID 64639175

IUPAC2-cyclopentylsulfinylcyclohexan-1-one
SMILESO=C1CCCCC1S(=O)C1CCCC1
InChIInChI=1S/C11H18O2S/c12-10-7-3-4-8-11(10)14(13)9-5-1-2-6-9/h9,11H,1-8H2
InChIKeyOGYUKURXDVSFBB-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.19
Rot. Bonds2

About 2-cyclopentylsulfinylcyclohexan-1-one

2-cyclopentylsulfinylcyclohexan-1-one (PubChem CID 64639175) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-cyclopentylsulfinylcyclohexan-1-one.

Molecular Properties

Compound Name2-cyclopentylsulfinylcyclohexan-1-one
PubChem CID64639175
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-cyclopentylsulfinylcyclohexan-1-one
SMILESO=C1CCCCC1S(=O)C1CCCC1
InChIInChI=1S/C11H18O2S/c12-10-7-3-4-8-11(10)14(13)9-5-1-2-6-9/h9,11H,1-8H2
InChIKeyOGYUKURXDVSFBB-UHFFFAOYSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexylsulfinylcyclohexan-1-one
CID 64722827
cyclobutylsulfinylcyclobutane
CID 14738655
2-iodocyclohexan-1-one
CID 10878790
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-one
CID 115478145
2-(4-methylphenyl)sulfinylcyclopentan-1-one
CID 11064019
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-bromocycloheptan-1-one
CID 544279
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
CID 102059008
2-hydroxycycloundecan-1-one
CID 12608300
2-hydroxycyclotetracosan-1-one
CID 13429421
[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium
CID 6945981

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinylcyclohexan-1-one?
The IUPAC name of 2-cyclopentylsulfinylcyclohexan-1-one (CID 64639175) is 2-cyclopentylsulfinylcyclohexan-1-one.
What is the SMILES notation for 2-cyclopentylsulfinylcyclohexan-1-one?
The canonical SMILES for 2-cyclopentylsulfinylcyclohexan-1-one is O=C1CCCCC1S(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfinylcyclohexan-1-one?
The InChIKey is OGYUKURXDVSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c12-10-7-3-4-8-11(10)14(13)9-5-1-2-6-9/h9,11H,1-8H2.
What are the key properties of 2-cyclopentylsulfinylcyclohexan-1-one?
2-cyclopentylsulfinylcyclohexan-1-one has a molecular weight of 214.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinylcyclohexan-1-one is sourced from PubChem (CID 64639175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).