6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

C15H20N2O3S — CID 3648361

IUPAC6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C15H20N2O3S/c1-11-6-8-17(9-7-11)21(19,20)13-3-4-14-12(10-13)2-5-15(18)16-14/h3-4,10-11H,2,5-9H2,1H3,(H,16,18)
InChIKeySRDJGLCEAFSUFY-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.99
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3648361) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID3648361
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C15H20N2O3S/c1-11-6-8-17(9-7-11)21(19,20)13-3-4-14-12(10-13)2-5-15(18)16-14/h3-4,10-11H,2,5-9H2,1H3,(H,16,18)
InChIKeySRDJGLCEAFSUFY-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
6-(4-benzoylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 55488624
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 119974817
6-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122269029
N-(4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 122176006
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 9264499
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95765166
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 24604890
6-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 133130922

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 3648361) is 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SRDJGLCEAFSUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-6-8-17(9-7-11)21(19,20)13-3-4-14-12(10-13)2-5-15(18)16-14/h3-4,10-11H,2,5-9H2,1H3,(H,16,18).
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3648361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).