2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one

C12H21NO3S — CID 79546272

IUPAC2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
SMILESCCS(=O)(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C12H21NO3S/c1-2-17(15,16)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h10-11H,2-9H2,1H3
InChIKeyQJZDIHTYWVOBJN-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.56
Rot. Bonds3

About 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one

2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one (PubChem CID 79546272) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
PubChem CID79546272
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
SMILESCCS(=O)(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C12H21NO3S/c1-2-17(15,16)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h10-11H,2-9H2,1H3
InChIKeyQJZDIHTYWVOBJN-UHFFFAOYSA-N
XLogP1.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylsulfonylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544242
2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 104626564
2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539733
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79545751
2-(1-cyclopentylsulfonylpiperidin-2-yl)cyclopentan-1-one
CID 105361187
N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 127864106
2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 79539732
2-[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 136531002
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549347
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 103414732

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one (CID 79546272) is 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one is CCS(=O)(=O)N1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
The InChIKey is QJZDIHTYWVOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-2-17(15,16)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h10-11H,2-9H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one has a molecular weight of 259.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 79546272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).