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

C15H18FNOS — CID 753285

IUPAC4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C15H18FNOS/c1-11-6-8-15(9-7-11)17(14(18)10-19-15)13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyWVLQKBOAWPOSCC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.81
Rot. Bonds1

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

4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 753285) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID753285
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C15H18FNOS/c1-11-6-8-15(9-7-11)17(14(18)10-19-15)13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyWVLQKBOAWPOSCC-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.81
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
3-p-Tolylrhodanine
CID 99568
8-Ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 703600
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
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-[(4-fluorobenzyl)sulfanyl]-N-phenylacetamide
CID 573187
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one (CID 753285) is 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one is CC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is WVLQKBOAWPOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-11-6-8-15(9-7-11)17(14(18)10-19-15)13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 279.38 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 753285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).