ethane;6-methylsulfonylquinoline

C12H15NO2S — CID 156875641

IUPACethane;6-methylsulfonylquinoline
SMILESCC.CS(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C10H9NO2S.C2H6/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10;1-2/h2-7H,1H3;1-2H3
InChIKeyPZBLJUWUYUNTEK-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.66
Rot. Bonds1

About ethane;6-methylsulfonylquinoline

ethane;6-methylsulfonylquinoline (PubChem CID 156875641) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethane;6-methylsulfonylquinoline.

Molecular Properties

Compound Nameethane;6-methylsulfonylquinoline
PubChem CID156875641
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Nameethane;6-methylsulfonylquinoline
SMILESCC.CS(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C10H9NO2S.C2H6/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10;1-2/h2-7H,1H3;1-2H3
InChIKeyPZBLJUWUYUNTEK-UHFFFAOYSA-N
XLogP2.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylsulfonylphenyl)quinoline
CID 72888822
quinoline-6-sulfonamide
CID 23273907
ethane;6-methylsulfonylquinoxaline
CID 156875754
sodium;hydride;quinoline-6-sulfonic acid
CID 173122364
quinolin-6-yl methanesulfonate
CID 157288502
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076
N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide
CID 154848531
6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
CID 167907378
N-quinolin-6-ylethanesulfonamide
CID 64584546
6-methylquinoline
CID 7059
ethane;quinoline-6-carboxylic acid
CID 91364452
N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide
CID 154838617

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylsulfonylquinoline?
The IUPAC name of ethane;6-methylsulfonylquinoline (CID 156875641) is ethane;6-methylsulfonylquinoline.
What is the SMILES notation for ethane;6-methylsulfonylquinoline?
The canonical SMILES for ethane;6-methylsulfonylquinoline is CC.CS(=O)(=O)c1ccc2ncccc2c1.
What is the InChIKey of ethane;6-methylsulfonylquinoline?
The InChIKey is PZBLJUWUYUNTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S.C2H6/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;6-methylsulfonylquinoline?
ethane;6-methylsulfonylquinoline has a molecular weight of 237.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylsulfonylquinoline is sourced from PubChem (CID 156875641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).