[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone

C17H22FNO3S — CID 146121846

IUPAC[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C17H22FNO3S/c1-23(21,22)13-8-11-19(12-13)16(20)17(9-4-5-10-17)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyYBMHPUQGNVIZKR-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.28
Rot. Bonds3

About [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone

[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone (PubChem CID 146121846) has the molecular formula C17H22FNO3S and a molecular weight of 339.43 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
PubChem CID146121846
Molecular FormulaC17H22FNO3S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C17H22FNO3S/c1-23(21,22)13-8-11-19(12-13)16(20)17(9-4-5-10-17)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyYBMHPUQGNVIZKR-UHFFFAOYSA-N
XLogP2.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
CID 154737138
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125003153
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 124589951
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110609411
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772940
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772941

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone (CID 146121846) is [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3F)CCCC2)C1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The InChIKey is YBMHPUQGNVIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3S/c1-23(21,22)13-8-11-19(12-13)16(20)17(9-4-5-10-17)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-12H2,1H3.
What are the key properties of [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone has a molecular weight of 339.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 146121846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).