(1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C15H14O2S — CID 11010670

IUPAC(1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CC[C@@H]2[C@H]1[C@H]1C=C(Sc3ccccc3)[C@@H]2O1
InChIInChI=1S/C15H14O2S/c16-11-7-6-10-14(11)12-8-13(15(10)17-12)18-9-4-2-1-3-5-9/h1-5,8,10,12,14-15H,6-7H2/t10-,12-,14-,15-/m1/s1
InChIKeyUGTHULCKGAGCHV-PZTHBURQSA-N
MW258.34 g/mol
LogP3.04
Rot. Bonds2

About (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

(1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 11010670) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID11010670
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name(1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CC[C@@H]2[C@H]1[C@H]1C=C(Sc3ccccc3)[C@@H]2O1
InChIInChI=1S/C15H14O2S/c16-11-7-6-10-14(11)12-8-13(15(10)17-12)18-9-4-2-1-3-5-9/h1-5,8,10,12,14-15H,6-7H2/t10-,12-,14-,15-/m1/s1
InChIKeyUGTHULCKGAGCHV-PZTHBURQSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one with MolForge

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Related Compounds

(1S,2S,6R,7R)-8-(benzenesulfonyl)-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11077130
1-Phenylsulfanyl-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one
CID 138969227
(1S,2S,7R,8R)-9-phenylsulfanyl-11-oxatricyclo[6.2.1.02,7]undec-9-en-3-one
CID 10858631
(1R,2S,6R,7R)-8-(benzenesulfonyl)-2-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 10979623
(1R,2S,6R,7R)-2-methyl-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11022030
(1S,2S,8R,9R)-10-phenylsulfanyl-12-oxatricyclo[7.2.1.02,8]dodec-10-en-3-one
CID 11781136

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 11010670) is (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1CC[C@@H]2[C@H]1[C@H]1C=C(Sc3ccccc3)[C@@H]2O1.
What is the InChIKey of (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is UGTHULCKGAGCHV-PZTHBURQSA-N. The full InChI is InChI=1S/C15H14O2S/c16-11-7-6-10-14(11)12-8-13(15(10)17-12)18-9-4-2-1-3-5-9/h1-5,8,10,12,14-15H,6-7H2/t10-,12-,14-,15-/m1/s1.
What are the key properties of (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 258.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-8-phenylsulfanyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 11010670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).