6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one

C17H24N2O3S — CID 95756856

IUPAC6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1
InChIInChI=1S/C17H24N2O3S/c1-12-8-13(2)11-19(10-12)23(21,22)15-5-6-16-14(9-15)4-7-17(20)18(16)3/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyZHINGCPDTNFXMD-CHWSQXEVSA-N
MW336.46 g/mol
LogP2.26
Rot. Bonds2

About 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 95756856) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID95756856
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1
InChIInChI=1S/C17H24N2O3S/c1-12-8-13(2)11-19(10-12)23(21,22)15-5-6-16-14(9-15)4-7-17(20)18(16)3/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyZHINGCPDTNFXMD-CHWSQXEVSA-N
XLogP2.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-3,4-dihydro-1H-quinolin-2-one
CID 7012461
1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 110383201
6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 110610346
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284
1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 110424462
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione
CID 4095521
1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 65448429
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
CID 62916095
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one (CID 95756856) is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1.
What is the InChIKey of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZHINGCPDTNFXMD-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-8-13(2)11-19(10-12)23(21,22)15-5-6-16-14(9-15)4-7-17(20)18(16)3/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one?
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 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-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 95756856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).