4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one

C15H18FNOS — CID 3146224

IUPAC4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCC1SC2(CCCCC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H18FNOS/c1-11-14(18)17(13-7-5-12(16)6-8-13)15(19-11)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3
InChIKeyBTMNNQZVTZOLFI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.95
Rot. Bonds1

About 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one

4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 3146224) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID3146224
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCC1SC2(CCCCC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H18FNOS/c1-11-14(18)17(13-7-5-12(16)6-8-13)15(19-11)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3
InChIKeyBTMNNQZVTZOLFI-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one (CID 3146224) is 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one is CC1SC2(CCCCC2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is BTMNNQZVTZOLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-11-14(18)17(13-7-5-12(16)6-8-13)15(19-11)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 279.38 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 3146224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).