2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone

C15H26O3S — CID 115786048

IUPAC2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone
SMILESCS(=O)(=O)C1CCCC(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C15H26O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h12-14H,2-11H2,1H3
InChIKeyODMUBAVVKNSDIS-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.13
Rot. Bonds4

About 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone

2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone (PubChem CID 115786048) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone
PubChem CID115786048
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone
SMILESCS(=O)(=O)C1CCCC(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C15H26O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h12-14H,2-11H2,1H3
InChIKeyODMUBAVVKNSDIS-UHFFFAOYSA-N
XLogP3.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116548386
3-(dimethylamino)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 115345834
1-(3-methylsulfonylcyclohexyl)-3-(propan-2-ylamino)propan-1-one
CID 116556398
1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
CID 114973977
2-amino-2-cyclopropyl-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116558440
2-hydroxy-1-(3-methylsulfonylcyclohexyl)butan-1-one
CID 103452895
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
1-(3-methylsulfonylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146906
3-methyl-1-(3-methylsulfonylcyclohexyl)but-2-en-1-one
CID 103455460
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695
2-amino-1-(3-methylsulfonylcyclohexyl)butan-1-one
CID 116583967

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone (CID 115786048) is 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone is CS(=O)(=O)C1CCCC(C(=O)CC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone?
The InChIKey is ODMUBAVVKNSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h12-14H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone?
2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone has a molecular weight of 286.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone is sourced from PubChem (CID 115786048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).