8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline

C12H17NO2S — CID 127336057

IUPAC8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCCc1cccc2c1N(S(C)(=O)=O)CCC2
InChIInChI=1S/C12H17NO2S/c1-3-10-6-4-7-11-8-5-9-13(12(10)11)16(2,14)15/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyPRGBBJQNHGUBKX-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.96
Rot. Bonds2

About 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline

8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 127336057) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID127336057
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCCc1cccc2c1N(S(C)(=O)=O)CCC2
InChIInChI=1S/C12H17NO2S/c1-3-10-6-4-7-11-8-5-9-13(12(10)11)16(2,14)15/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyPRGBBJQNHGUBKX-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-diethyl-3,4-dihydro-2H-quinoline;methane
CID 145401425
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-(bromomethylsulfonyl)-8-methyl-3,4-dihydro-2H-quinoline
CID 83084250
1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 55234624
1-(4-chlorobutylsulfonyl)-8-methyl-3,4-dihydro-2H-quinoline
CID 116815081
3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal
CID 117291918
8-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 64591215
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
1-(3-chloropropylsulfonyl)-8-methoxy-3,4-dihydro-2H-quinoline
CID 54877239
1-(2,6-diethylphenyl)piperidine
CID 10608826
5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline
CID 84640812
6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine
CID 82490254

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 127336057) is 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline is CCc1cccc2c1N(S(C)(=O)=O)CCC2.
What is the InChIKey of 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is PRGBBJQNHGUBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-10-6-4-7-11-8-5-9-13(12(10)11)16(2,14)15/h4,6-7H,3,5,8-9H2,1-2H3.
What are the key properties of 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline?
8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 239.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 127336057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).