1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline

C11H15NO2S — CID 118445980

IUPAC1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C11H15NO2S/c1-12-7-3-4-9-8-10(15(2,13)14)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyULJOIUXFGQOPJP-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.47
Rot. Bonds1

About 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline

1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 118445980) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID118445980
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C11H15NO2S/c1-12-7-3-4-9-8-10(15(2,13)14)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyULJOIUXFGQOPJP-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline 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

1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline
CID 71844826
7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-amine
CID 123957043
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
(1-methyl-3,4-dihydro-2H-quinolin-6-yl) thiocyanate
CID 1079755
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872666
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 118445980) is 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline is CN1CCCc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is ULJOIUXFGQOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-7-3-4-9-8-10(15(2,13)14)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 225.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118445980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).