8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one

C16H20FNOS — CID 613715

IUPAC8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C16H20FNOS/c1-2-12-7-9-16(10-8-12)18(15(19)11-20-16)14-5-3-13(17)4-6-14/h3-6,12H,2,7-11H2,1H3
InChIKeyGMZMVFHNJOFGEY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.20
Rot. Bonds2

About 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one

8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 613715) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID613715
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C16H20FNOS/c1-2-12-7-9-16(10-8-12)18(15(19)11-20-16)14-5-3-13(17)4-6-14/h3-6,12H,2,7-11H2,1H3
InChIKeyGMZMVFHNJOFGEY-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
8-Ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 703600
N-(2-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
5-Benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3976167
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
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one (CID 613715) is 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one is CCC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is GMZMVFHNJOFGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-2-12-7-9-16(10-8-12)18(15(19)11-20-16)14-5-3-13(17)4-6-14/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 293.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 613715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).