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

C14H16FNOS — CID 4099826

IUPAC4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c15-11-4-6-12(7-5-11)16-13(17)10-18-14(16)8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyWSYMBNIKQGLCSP-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.57
Rot. Bonds1

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

4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 4099826) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID4099826
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c15-11-4-6-12(7-5-11)16-13(17)10-18-14(16)8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyWSYMBNIKQGLCSP-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one (CID 4099826) is 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one is O=C1CSC2(CCCCC2)N1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is WSYMBNIKQGLCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c15-11-4-6-12(7-5-11)16-13(17)10-18-14(16)8-2-1-3-9-14/h4-7H,1-3,8-10H2.
What are the key properties of 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 265.35 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 4099826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).