8-(2-ethylsulfonylethylsulfanyl)quinoline

C13H15NO2S2 — CID 4191456

IUPAC8-(2-ethylsulfonylethylsulfanyl)quinoline
SMILESCCS(=O)(=O)CCSc1cccc2cccnc12
InChIInChI=1S/C13H15NO2S2/c1-2-18(15,16)10-9-17-12-7-3-5-11-6-4-8-14-13(11)12/h3-8H,2,9-10H2,1H3
InChIKeyIHBJBWOBHAJLFZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds5

About 8-(2-ethylsulfonylethylsulfanyl)quinoline

8-(2-ethylsulfonylethylsulfanyl)quinoline (PubChem CID 4191456) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 8-(2-ethylsulfonylethylsulfanyl)quinoline.

Molecular Properties

Compound Name8-(2-ethylsulfonylethylsulfanyl)quinoline
PubChem CID4191456
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name8-(2-ethylsulfonylethylsulfanyl)quinoline
SMILESCCS(=O)(=O)CCSc1cccc2cccnc12
InChIInChI=1S/C13H15NO2S2/c1-2-18(15,16)10-9-17-12-7-3-5-11-6-4-8-14-13(11)12/h3-8H,2,9-10H2,1H3
InChIKeyIHBJBWOBHAJLFZ-UHFFFAOYSA-N
XLogP2.76
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinolin-8-ylsulfanylacetonitrile
CID 2143520
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
8-sulfosulfanylquinoline
CID 175491006
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
methylsulfonyl(quinolin-8-yl)azanide
CID 25244687
8-methylsulfanylsulfonylquinoline
CID 913226
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylsulfonylethylsulfanyl)quinoline?
The IUPAC name of 8-(2-ethylsulfonylethylsulfanyl)quinoline (CID 4191456) is 8-(2-ethylsulfonylethylsulfanyl)quinoline.
What is the SMILES notation for 8-(2-ethylsulfonylethylsulfanyl)quinoline?
The canonical SMILES for 8-(2-ethylsulfonylethylsulfanyl)quinoline is CCS(=O)(=O)CCSc1cccc2cccnc12.
What is the InChIKey of 8-(2-ethylsulfonylethylsulfanyl)quinoline?
The InChIKey is IHBJBWOBHAJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-2-18(15,16)10-9-17-12-7-3-5-11-6-4-8-14-13(11)12/h3-8H,2,9-10H2,1H3.
What are the key properties of 8-(2-ethylsulfonylethylsulfanyl)quinoline?
8-(2-ethylsulfonylethylsulfanyl)quinoline has a molecular weight of 281.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylsulfonylethylsulfanyl)quinoline is sourced from PubChem (CID 4191456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).