8-methylsulfanylsulfonylquinoline

C10H9NO2S2 — CID 913226

IUPAC8-methylsulfanylsulfonylquinoline
SMILESCSS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C10H9NO2S2/c1-14-15(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKeyNOPRXUBTQBLVCQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.29
Rot. Bonds2

About 8-methylsulfanylsulfonylquinoline

8-methylsulfanylsulfonylquinoline (PubChem CID 913226) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 8-methylsulfanylsulfonylquinoline.

Molecular Properties

Compound Name8-methylsulfanylsulfonylquinoline
PubChem CID913226
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name8-methylsulfanylsulfonylquinoline
SMILESCSS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C10H9NO2S2/c1-14-15(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKeyNOPRXUBTQBLVCQ-UHFFFAOYSA-N
XLogP2.29
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride
CID 125424737
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
N-butylquinoline-8-sulfonamide
CID 2068304
5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine
CID 100664521
dipotassium;quinolin-8-ol;sulfate
CID 24820574

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanylsulfonylquinoline?
The IUPAC name of 8-methylsulfanylsulfonylquinoline (CID 913226) is 8-methylsulfanylsulfonylquinoline.
What is the SMILES notation for 8-methylsulfanylsulfonylquinoline?
The canonical SMILES for 8-methylsulfanylsulfonylquinoline is CSS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 8-methylsulfanylsulfonylquinoline?
The InChIKey is NOPRXUBTQBLVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-14-15(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3.
What are the key properties of 8-methylsulfanylsulfonylquinoline?
8-methylsulfanylsulfonylquinoline has a molecular weight of 239.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanylsulfonylquinoline is sourced from PubChem (CID 913226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).