3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline

C11H16N2O2S — CID 82007831

IUPAC3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline
SMILESCC1(C)CNc2c(cccc2S(C)(=O)=O)N1
InChIInChI=1S/C11H16N2O2S/c1-11(2)7-12-10-8(13-11)5-4-6-9(10)16(3,14)15/h4-6,12-13H,7H2,1-3H3
InChIKeyIETUEQUWAGNDBE-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.71
Rot. Bonds1

About 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline

3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline (PubChem CID 82007831) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline
PubChem CID82007831
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline
SMILESCC1(C)CNc2c(cccc2S(C)(=O)=O)N1
InChIInChI=1S/C11H16N2O2S/c1-11(2)7-12-10-8(13-11)5-4-6-9(10)16(3,14)15/h4-6,12-13H,7H2,1-3H3
InChIKeyIETUEQUWAGNDBE-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline?
The IUPAC name of 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline (CID 82007831) is 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline.
What is the SMILES notation for 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline?
The canonical SMILES for 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline is CC1(C)CNc2c(cccc2S(C)(=O)=O)N1.
What is the InChIKey of 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline?
The InChIKey is IETUEQUWAGNDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2)7-12-10-8(13-11)5-4-6-9(10)16(3,14)15/h4-6,12-13H,7H2,1-3H3.
What are the key properties of 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline?
3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline has a molecular weight of 240.33 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline is sourced from PubChem (CID 82007831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).