8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C15H17FN2O2S — CID 46112853

IUPAC8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-11(19)17-8-6-15(7-9-17)18(14(20)10-21-15)13-4-2-12(16)3-5-13/h2-5H,6-10H2,1H3
InChIKeyYAXAFBKVEWRXMH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds1

About 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112853) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112853
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-11(19)17-8-6-15(7-9-17)18(14(20)10-21-15)13-4-2-12(16)3-5-13/h2-5H,6-10H2,1H3
InChIKeyYAXAFBKVEWRXMH-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(4-thiomorpholinyl)-2,5-pyrrolidinedione
CID 2854685
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2,2-Dimethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10594773
3-[4-[1-(4-Fluorophenyl)-4-piperazinyl]butyl]-4-thiazolidinone
CID 10759394
2,2-Dimethyl-3-{4-[4-(3-methylsulfanyl-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10834424
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541
2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232767
3-(4-Fluorophenyl)-2,4-thiazolidinedione
CID 320955
N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 2848909
3-Thiomorpholinone, 6-methyl-4-phenyl-
CID 2952867

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112853) is 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YAXAFBKVEWRXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(19)17-8-6-15(7-9-17)18(14(20)10-21-15)13-4-2-12(16)3-5-13/h2-5H,6-10H2,1H3.
What are the key properties of 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 308.38 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).