2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone

C13H23NO3S — CID 90584553

IUPAC2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H23NO3S/c1-18(16,17)12-7-8-14(10-12)13(15)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3
InChIKeyCPSIOKTWAFQTDR-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.60
Rot. Bonds3

About 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone

2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone (PubChem CID 90584553) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
PubChem CID90584553
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H23NO3S/c1-18(16,17)12-7-8-14(10-12)13(15)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3
InChIKeyCPSIOKTWAFQTDR-UHFFFAOYSA-N
XLogP1.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260
2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 100698504
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
4,4,4-trifluoro-1-(3-methylsulfonylpyrrolidin-1-yl)butan-1-one
CID 90586991
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone
CID 128553058
2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90590789
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
1-(3-bromopiperidin-1-yl)-2-cyclohexylethanone
CID 80661364
1-adamantyl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805518
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CID 97414910

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone (CID 90584553) is 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone is CS(=O)(=O)C1CCN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone?
The InChIKey is CPSIOKTWAFQTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-18(16,17)12-7-8-14(10-12)13(15)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone?
2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone has a molecular weight of 273.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 90584553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).