[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C22H26N2O3S — CID 112811889

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C22H26N2O3S/c1-17-13-14-18-8-5-6-12-21(18)24(17)22(25)19-9-7-15-23(16-19)28(26,27)20-10-3-2-4-11-20/h2-6,8,10-12,17,19H,7,9,13-16H2,1H3
InChIKeyOLSOVNNKRCNNIO-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.46
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 112811889) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID112811889
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C22H26N2O3S/c1-17-13-14-18-8-5-6-12-21(18)24(17)22(25)19-9-7-15-23(16-19)28(26,27)20-10-3-2-4-11-20/h2-6,8,10-12,17,19H,7,9,13-16H2,1H3
InChIKeyOLSOVNNKRCNNIO-UHFFFAOYSA-N
XLogP3.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133159675
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 112765862
[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835728
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125047542
(3R)-N-benzyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688098
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
(3R)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92688081
[(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 125049746

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 112811889) is [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is OLSOVNNKRCNNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-17-13-14-18-8-5-6-12-21(18)24(17)22(25)19-9-7-15-23(16-19)28(26,27)20-10-3-2-4-11-20/h2-6,8,10-12,17,19H,7,9,13-16H2,1H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 398.53 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 112811889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).