(3S)-3-quinolin-8-ylsulfanyloxolan-2-one

C13H11NO2S — CID 975510

IUPAC(3S)-3-quinolin-8-ylsulfanyloxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1cccc2cccnc12
InChIInChI=1S/C13H11NO2S/c15-13-11(6-8-16-13)17-10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7,11H,6,8H2/t11-/m0/s1
InChIKeyFZSIUQSONPUERC-NSHDSACASA-N
MW245.30 g/mol
LogP2.64
Rot. Bonds2

About (3S)-3-quinolin-8-ylsulfanyloxolan-2-one

(3S)-3-quinolin-8-ylsulfanyloxolan-2-one (PubChem CID 975510) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is (3S)-3-quinolin-8-ylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-quinolin-8-ylsulfanyloxolan-2-one
PubChem CID975510
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name(3S)-3-quinolin-8-ylsulfanyloxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1cccc2cccnc12
InChIInChI=1S/C13H11NO2S/c15-13-11(6-8-16-13)17-10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7,11H,6,8H2/t11-/m0/s1
InChIKeyFZSIUQSONPUERC-NSHDSACASA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dichlorophenyl)sulfanyloxolan-2-one
CID 51072328
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598
1,10-phenanthroline;samarium
CID 174616745
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
CID 35501475
S-quinolin-8-yl cyclohexanecarbothioate
CID 70789803
3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one
CID 59382501
8-sulfosulfanylquinoline
CID 175491006
(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
CID 2304233
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
osmium;tris(1,10-phenanthroline)
CID 14251798

Frequently Asked Questions

What is the IUPAC name of (3S)-3-quinolin-8-ylsulfanyloxolan-2-one?
The IUPAC name of (3S)-3-quinolin-8-ylsulfanyloxolan-2-one (CID 975510) is (3S)-3-quinolin-8-ylsulfanyloxolan-2-one.
What is the SMILES notation for (3S)-3-quinolin-8-ylsulfanyloxolan-2-one?
The canonical SMILES for (3S)-3-quinolin-8-ylsulfanyloxolan-2-one is O=C1OCC[C@@H]1Sc1cccc2cccnc12.
What is the InChIKey of (3S)-3-quinolin-8-ylsulfanyloxolan-2-one?
The InChIKey is FZSIUQSONPUERC-NSHDSACASA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13-11(6-8-16-13)17-10-5-1-3-9-4-2-7-14-12(9)10/h1-5,7,11H,6,8H2/t11-/m0/s1.
What are the key properties of (3S)-3-quinolin-8-ylsulfanyloxolan-2-one?
(3S)-3-quinolin-8-ylsulfanyloxolan-2-one has a molecular weight of 245.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-quinolin-8-ylsulfanyloxolan-2-one is sourced from PubChem (CID 975510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).