ethane;6-methylsulfonylquinoxaline

C11H14N2O2S — CID 156875754

IUPACethane;6-methylsulfonylquinoxaline
SMILESCC.CS(=O)(=O)c1ccc2nccnc2c1
InChIInChI=1S/C9H8N2O2S.C2H6/c1-14(12,13)7-2-3-8-9(6-7)11-5-4-10-8;1-2/h2-6H,1H3;1-2H3
InChIKeyUUSWETBMXNPJBO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.06
Rot. Bonds1

About ethane;6-methylsulfonylquinoxaline

ethane;6-methylsulfonylquinoxaline (PubChem CID 156875754) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is ethane;6-methylsulfonylquinoxaline.

Molecular Properties

Compound Nameethane;6-methylsulfonylquinoxaline
PubChem CID156875754
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Nameethane;6-methylsulfonylquinoxaline
SMILESCC.CS(=O)(=O)c1ccc2nccnc2c1
InChIInChI=1S/C9H8N2O2S.C2H6/c1-14(12,13)7-2-3-8-9(6-7)11-5-4-10-8;1-2/h2-6H,1H3;1-2H3
InChIKeyUUSWETBMXNPJBO-UHFFFAOYSA-N
XLogP2.06
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;6-methylsulfonylquinoline
CID 156875641
4-bromo-6-methylsulfonylquinoline
CID 131700001
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
ethane;quinoxalin-6-amine
CID 143926479
7-methylsulfonyl-2-thiophen-2-ylquinoxaline
CID 90740809
1-methyl-6-methylsulfonylisoquinoline
CID 125457788
4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869536
6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine
CID 133301281
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
4-methylsulfonyl-2-(trifluoromethyl)benzaldehyde
CID 51342018
2-(chloromethyl)-1-methyl-5-methylsulfonylbenzimidazole
CID 70545396

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylsulfonylquinoxaline?
The IUPAC name of ethane;6-methylsulfonylquinoxaline (CID 156875754) is ethane;6-methylsulfonylquinoxaline.
What is the SMILES notation for ethane;6-methylsulfonylquinoxaline?
The canonical SMILES for ethane;6-methylsulfonylquinoxaline is CC.CS(=O)(=O)c1ccc2nccnc2c1.
What is the InChIKey of ethane;6-methylsulfonylquinoxaline?
The InChIKey is UUSWETBMXNPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S.C2H6/c1-14(12,13)7-2-3-8-9(6-7)11-5-4-10-8;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;6-methylsulfonylquinoxaline?
ethane;6-methylsulfonylquinoxaline has a molecular weight of 238.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylsulfonylquinoxaline is sourced from PubChem (CID 156875754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).