2-(benzenesulfinyl)cyclohexan-1-one

C12H14O2S — CID 10955161

IUPAC2-(benzenesulfinyl)cyclohexan-1-one
SMILESO=C1CCCCC1S(=O)c1ccccc1
InChIInChI=1S/C12H14O2S/c13-11-8-4-5-9-12(11)15(14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyGASJLHBDGBKZPP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.31
Rot. Bonds2

About 2-(benzenesulfinyl)cyclohexan-1-one

2-(benzenesulfinyl)cyclohexan-1-one (PubChem CID 10955161) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(benzenesulfinyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(benzenesulfinyl)cyclohexan-1-one
PubChem CID10955161
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name2-(benzenesulfinyl)cyclohexan-1-one
SMILESO=C1CCCCC1S(=O)c1ccccc1
InChIInChI=1S/C12H14O2S/c13-11-8-4-5-9-12(11)15(14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyGASJLHBDGBKZPP-UHFFFAOYSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenylthiopropan-2-one
CID 247129
1-(Phenylsulfonyl)butan-2-one
CID 11031155
S~1~,S~6~-Diphenyl hexanebis(thioate)
CID 223603
2-(Phenylsulfonyl)cyclohexanone
CID 357759
Phenylsulfonylacetone
CID 735827
2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione
CID 1486429
2-(Phenylthio)cyclododecanone
CID 317517
5-Benzenesulfonylpentan-2-one
CID 345621
1,3-Bis(phenylsulfanyl)propan-2-one
CID 2320201
1-(Benzenesulfonyl)-1-fluoropropan-2-one
CID 15685354
2-(4-Methylbenzenesulfonyl)cyclohexan-1-one
CID 3333809
3-(Benzenesulfinyl)-1,1,1-trifluoropropan-2-one
CID 13449075

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)cyclohexan-1-one?
The IUPAC name of 2-(benzenesulfinyl)cyclohexan-1-one (CID 10955161) is 2-(benzenesulfinyl)cyclohexan-1-one.
What is the SMILES notation for 2-(benzenesulfinyl)cyclohexan-1-one?
The canonical SMILES for 2-(benzenesulfinyl)cyclohexan-1-one is O=C1CCCCC1S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)cyclohexan-1-one?
The InChIKey is GASJLHBDGBKZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c13-11-8-4-5-9-12(11)15(14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2.
What are the key properties of 2-(benzenesulfinyl)cyclohexan-1-one?
2-(benzenesulfinyl)cyclohexan-1-one has a molecular weight of 222.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)cyclohexan-1-one is sourced from PubChem (CID 10955161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).