1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone

C18H22N2O3S — CID 51119073

IUPAC1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone
SMILESCCC1CCCCN1C(=O)CS(=O)(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O3S/c1-2-15-8-5-6-12-20(15)18(21)13-24(22,23)17-11-10-14-7-3-4-9-16(14)19-17/h3-4,7,9-11,15H,2,5-6,8,12-13H2,1H3
InChIKeyNIGRESHEHDLBET-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone

1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone (PubChem CID 51119073) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone
PubChem CID51119073
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone
SMILESCCC1CCCCN1C(=O)CS(=O)(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O3S/c1-2-15-8-5-6-12-20(15)18(21)13-24(22,23)17-11-10-14-7-3-4-9-16(14)19-17/h3-4,7,9-11,15H,2,5-6,8,12-13H2,1H3
InChIKeyNIGRESHEHDLBET-UHFFFAOYSA-N
XLogP2.80
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(pyrimidin-2-ylmethylsulfonyl)ethanone
CID 167772224
1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
CID 860340
1-(2-ethylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]ethanone
CID 47217764
1-(2-ethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylsulfonyl]ethanone
CID 86989421
1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone
CID 46458677
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 52894444
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913
1-[(2S)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403911

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone (CID 51119073) is 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone is CCC1CCCCN1C(=O)CS(=O)(=O)c1ccc2ccccc2n1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone?
The InChIKey is NIGRESHEHDLBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-15-8-5-6-12-20(15)18(21)13-24(22,23)17-11-10-14-7-3-4-9-16(14)19-17/h3-4,7,9-11,15H,2,5-6,8,12-13H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone?
1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone has a molecular weight of 346.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone is sourced from PubChem (CID 51119073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).