6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline

C15H23NO2S — CID 166559541

IUPAC6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)Cc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C15H23NO2S/c1-15(2,3)11-12-7-8-14-13(10-12)6-5-9-16(14)19(4,17)18/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyRDGUTHHCTNEAFB-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.99
Rot. Bonds2

About 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline

6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 166559541) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID166559541
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)Cc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C15H23NO2S/c1-15(2,3)11-12-7-8-14-13(10-12)6-5-9-16(14)19(4,17)18/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyRDGUTHHCTNEAFB-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 82341251
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 82341039
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 4-ethylbenzoate
CID 46810302
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 7635711
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
(3,5-dimethylpiperidin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 43016800

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 166559541) is 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline is CC(C)(C)Cc1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is RDGUTHHCTNEAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)11-12-7-8-14-13(10-12)6-5-9-16(14)19(4,17)18/h7-8,10H,5-6,9,11H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 281.42 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 166559541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).