2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C14H16FNO2S — CID 71795932

IUPAC2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1C2CCC1COC2
InChIInChI=1S/C14H16FNO2S/c15-10-1-5-13(6-2-10)19-9-14(17)16-11-3-4-12(16)8-18-7-11/h1-2,5-6,11-12H,3-4,7-9H2
InChIKeyQWQBSXYTZXPQKT-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 71795932) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID71795932
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1C2CCC1COC2
InChIInChI=1S/C14H16FNO2S/c15-10-1-5-13(6-2-10)19-9-14(17)16-11-3-4-12(16)8-18-7-11/h1-2,5-6,11-12H,3-4,7-9H2
InChIKeyQWQBSXYTZXPQKT-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone with MolForge

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Related Compounds

2-(3,4-Difluorophenyl)sulfanyl-1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 53565272
4-Ethyl-3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3266043
3-[1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3480252
3-[1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
CID 3838336
3-(2-Fluorophenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421210
2-(2,4-Difluorophenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421297
2-(3,4-Difluorophenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421298
2-(2-Fluorophenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421435
3-(4-Fluorophenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421438
2-(4-Fluorophenyl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421449
3-(4-Fluorophenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 45840057
3-(2-Fluorophenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 51073823

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 71795932) is 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(CSc1ccc(F)cc1)N1C2CCC1COC2.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is QWQBSXYTZXPQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c15-10-1-5-13(6-2-10)19-9-14(17)16-11-3-4-12(16)8-18-7-11/h1-2,5-6,11-12H,3-4,7-9H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 281.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 71795932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).