3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline

C13H20N2O2S — CID 84640819

IUPAC3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline
SMILESCc1ccc2c(c1C)N(S(C)(=O)=O)C(C)(C)CN2
InChIInChI=1S/C13H20N2O2S/c1-9-6-7-11-12(10(9)2)15(18(5,16)17)13(3,4)8-14-11/h6-7,14H,8H2,1-5H3
InChIKeySAOJAEYKTUBUCM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.27
Rot. Bonds1

About 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline

3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline (PubChem CID 84640819) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline.

Molecular Properties

Compound Name3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline
PubChem CID84640819
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline
SMILESCc1ccc2c(c1C)N(S(C)(=O)=O)C(C)(C)CN2
InChIInChI=1S/C13H20N2O2S/c1-9-6-7-11-12(10(9)2)15(18(5,16)17)13(3,4)8-14-11/h6-7,14H,8H2,1-5H3
InChIKeySAOJAEYKTUBUCM-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline?
The IUPAC name of 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline (CID 84640819) is 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline.
What is the SMILES notation for 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline?
The canonical SMILES for 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline is Cc1ccc2c(c1C)N(S(C)(=O)=O)C(C)(C)CN2.
What is the InChIKey of 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline?
The InChIKey is SAOJAEYKTUBUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-6-7-11-12(10(9)2)15(18(5,16)17)13(3,4)8-14-11/h6-7,14H,8H2,1-5H3.
What are the key properties of 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline?
3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline has a molecular weight of 268.38 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6-tetramethyl-4-methylsulfonyl-1,2-dihydroquinoxaline is sourced from PubChem (CID 84640819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).