[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H20FNO3S — CID 168674625

IUPAC[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCCCC1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H20FNO3S/c1-9-4-2-3-5-11(9)14-7-10(6-12(14)15)8-18(13,16)17/h9-11H,2-8H2,1H3
InChIKeyLOTZTEOZIDCSKJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.71
Rot. Bonds3

About [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674625) has the molecular formula C12H20FNO3S and a molecular weight of 277.36 g/mol. Its IUPAC name is [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674625
Molecular FormulaC12H20FNO3S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCCCC1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H20FNO3S/c1-9-4-2-3-5-11(9)14-7-10(6-12(14)15)8-18(13,16)17/h9-11H,2-8H2,1H3
InChIKeyLOTZTEOZIDCSKJ-UHFFFAOYSA-N
XLogP1.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 128478819
[5-Oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673604
[5-Oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673628
[1-(2,3-Dimethylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674616
[1-[3-(Aminomethyl)-3,5,5-trimethylcyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674622
[1-[(5-Amino-1,3,3-trimethylcyclohexyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674623
[5-Oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674624
[1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674627
[1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674633
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(5-Methylhexan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674705
[1-(6-Methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674706

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674625) is [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC1CCCCC1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LOTZTEOZIDCSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO3S/c1-9-4-2-3-5-11(9)14-7-10(6-12(14)15)8-18(13,16)17/h9-11H,2-8H2,1H3.
What are the key properties of [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 277.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).