1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C13H17NO3S — CID 117031946

IUPAC1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C13H17NO3S/c1-3-18(16,17)12-6-7-13-11(9-12)5-4-8-14(13)10(2)15/h6-7,9H,3-5,8H2,1-2H3
InChIKeyRFKSVBFJPUZWBQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.78
Rot. Bonds2

About 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 117031946) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID117031946
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C13H17NO3S/c1-3-18(16,17)12-6-7-13-11(9-12)5-4-8-14(13)10(2)15/h6-7,9H,3-5,8H2,1-2H3
InChIKeyRFKSVBFJPUZWBQ-UHFFFAOYSA-N
XLogP1.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
1-[6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46361608
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-[6-(4-butan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113073014
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 117031946) is 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CCS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is RFKSVBFJPUZWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-18(16,17)12-6-7-13-11(9-12)5-4-8-14(13)10(2)15/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 267.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 117031946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).