2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone

C15H18FNO2S — CID 90510611

IUPAC2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H18FNO2S/c16-13-3-1-12(2-4-13)11-14(18)17-7-5-15(6-8-17)19-9-10-20-15/h1-4H,5-11H2
InChIKeyICUSQOYVJLPNRS-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.45
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone

2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 90510611) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID90510611
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H18FNO2S/c16-13-3-1-12(2-4-13)11-14(18)17-7-5-15(6-8-17)19-9-10-20-15/h1-4H,5-11H2
InChIKeyICUSQOYVJLPNRS-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-(3-Fluorophenyl)acetyl]-4-methyl-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920522
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-[(2-fluorophenyl)methylsulfanyl]propan-1-one
CID 20967503
(2,4-Difluorophenyl)(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764630
2-(3-Fluorophenyl)-1-[4-(2-methoxyethoxy)piperidin-1-YL]ethan-1-one
CID 72011463
1-[4-(2-Ethoxyethoxy)piperidin-1-YL]-2-(3-fluorophenyl)ethan-1-one
CID 91918308
3-[(2R)-2-fluoro-2-phenylacetyl]-1,3-thiazolidin-2-one
CID 16752989
3-[2-(4-Fluorophenyl)acetyl]-1,3-thiazolidin-2-one
CID 16752990
3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one
CID 134963536
3-[(3R)-3-(2-fluorophenyl)-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one
CID 134999682
(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
CID 162416857
2-(4-(Isopropylthio)phenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764664
4-Ethoxy-1-{3-[(4-fluorobenzyl)thio]propanoyl}piperidine
CID 50971180

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (CID 90510611) is 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is ICUSQOYVJLPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c16-13-3-1-12(2-4-13)11-14(18)17-7-5-15(6-8-17)19-9-10-20-15/h1-4H,5-11H2.
What are the key properties of 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 295.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 90510611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).