6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C16H22N2O3S — CID 7012461

IUPAC6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C16H22N2O3S/c1-11-7-12(2)10-18(9-11)22(20,21)14-4-5-15-13(8-14)3-6-16(19)17-15/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyIBPIRSFWUWKWCI-VXGBXAGGSA-N
MW322.43 g/mol
LogP2.24
Rot. Bonds2

About 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 7012461) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID7012461
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C16H22N2O3S/c1-11-7-12(2)10-18(9-11)22(20,21)14-4-5-15-13(8-14)3-6-16(19)17-15/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyIBPIRSFWUWKWCI-VXGBXAGGSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
6-[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 133130922
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 56730285
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
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50968398
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 71691319
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 95756856
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
6-[[(2S,3S)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96541833
6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 9264499

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 7012461) is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IBPIRSFWUWKWCI-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11-7-12(2)10-18(9-11)22(20,21)14-4-5-15-13(8-14)3-6-16(19)17-15/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 322.43 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 7012461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).