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

C15H21NO3S — CID 102662224

IUPAC1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H21NO3S/c1-11(17)12-7-8-14-13(10-12)6-5-9-16(14)20(18,19)15(2,3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyMYBNBWIYMHAEKG-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.77
Rot. Bonds2

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

1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone (PubChem CID 102662224) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
PubChem CID102662224
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H21NO3S/c1-11(17)12-7-8-14-13(10-12)6-5-9-16(14)20(18,19)15(2,3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyMYBNBWIYMHAEKG-UHFFFAOYSA-N
XLogP2.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
CID 110737760
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
1-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 110737439
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-[1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662170
1-(methoxycarbonylsulfamoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 114462048
1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 146124471
1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662186
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516
ethyl 2-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]acetate
CID 102662175
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The IUPAC name of 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone (CID 102662224) is 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone.
What is the SMILES notation for 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The canonical SMILES for 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone is CC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The InChIKey is MYBNBWIYMHAEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11(17)12-7-8-14-13(10-12)6-5-9-16(14)20(18,19)15(2,3)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone has a molecular weight of 295.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone is sourced from PubChem (CID 102662224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).