4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one

C14H14O2S — CID 586337

IUPAC4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one
SMILESO=C1C=C(Sc2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C14H14O2S/c15-13-10-12(14(16-13)8-4-5-9-14)17-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyXUKMVNCNHQQJID-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.53
Rot. Bonds2

About 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one

4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one (PubChem CID 586337) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one
PubChem CID586337
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one
SMILESO=C1C=C(Sc2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C14H14O2S/c15-13-10-12(14(16-13)8-4-5-9-14)17-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyXUKMVNCNHQQJID-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Phenylthio)-2(5H)-furanone
CID 341958
4-(4-Fluorophenyl)sulfanyl-5,5-dimethylfuran-2-one
CID 10537890
5,5-Dimethyl-4-(phenylsulfanyl)furan-2(5H)-one
CID 336047
4-(Phenylthio)-2(5H)-furanone
CID 10997856
3-phenylsulfanyl-2-propan-2-yl-2H-furan-5-one
CID 336045
2(5H)-Furanone, 5-methyl-4-(phenylthio)-
CID 10536283
5,5-Dimethyl-4-(4-methylphenyl)sulfanylfuran-2-one
CID 10561683
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.4]non-3-ene
CID 13171789
5-Methyl-5-pentyl-4-phenylsulfanylfuran-2-one
CID 134899606
5-Butyl-5-[difluoro(phenylsulfanyl)methyl]furan-2-one
CID 132933237
3-phenylsulfanyl-2-[(E)-prop-1-enyl]-2H-furan-5-one
CID 6274795
4,5,5-Trimethyl-3-phenylsulfanylfuran-2-one
CID 12709528

Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one (CID 586337) is 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one is O=C1C=C(Sc2ccccc2)C2(CCCC2)O1.
What is the InChIKey of 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one?
The InChIKey is XUKMVNCNHQQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c15-13-10-12(14(16-13)8-4-5-9-14)17-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one?
4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one has a molecular weight of 246.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-1-oxaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 586337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).