5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline

C13H20N2O2S — CID 84640812

IUPAC5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline
SMILESCCc1cccc2c1N(S(C)(=O)=O)CC(C)(C)N2
InChIInChI=1S/C13H20N2O2S/c1-5-10-7-6-8-11-12(10)15(18(4,16)17)9-13(2,3)14-11/h6-8,14H,5,9H2,1-4H3
InChIKeyVAGLRNDTTMYSDI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.22
Rot. Bonds2

About 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline

5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline (PubChem CID 84640812) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline
PubChem CID84640812
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline
SMILESCCc1cccc2c1N(S(C)(=O)=O)CC(C)(C)N2
InChIInChI=1S/C13H20N2O2S/c1-5-10-7-6-8-11-12(10)15(18(4,16)17)9-13(2,3)14-11/h6-8,14H,5,9H2,1-4H3
InChIKeyVAGLRNDTTMYSDI-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 127336057
4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline
CID 115095110
3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one
CID 11425997
2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
3,3-dimethyl-8-methylsulfonyl-2,4-dihydro-1H-quinoxaline
CID 82007831
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine
CID 175698363
1-(2-ethyl-6-methylphenyl)-3,3-dimethyl-1,4-diazocane
CID 117016490
2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane
CID 155771376
6-ethyl-2,2,4-trimethyl-1,3-dihydroquinoxaline
CID 84620438
5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
CID 84620322
2,5-diethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620474

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline?
The IUPAC name of 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline (CID 84640812) is 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline?
The canonical SMILES for 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline is CCc1cccc2c1N(S(C)(=O)=O)CC(C)(C)N2.
What is the InChIKey of 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline?
The InChIKey is VAGLRNDTTMYSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-10-7-6-8-11-12(10)15(18(4,16)17)9-13(2,3)14-11/h6-8,14H,5,9H2,1-4H3.
What are the key properties of 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline?
5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline has a molecular weight of 268.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline is sourced from PubChem (CID 84640812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).