(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

C20H24N2O3S2 — CID 55480235

IUPAC(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CCC2
InChIInChI=1S/C20H24N2O3S2/c1-15-6-2-7-16-8-4-12-22(19(15)16)20(23)17-9-3-11-21(14-17)27(24,25)18-10-5-13-26-18/h2,5-7,10,13,17H,3-4,8-9,11-12,14H2,1H3
InChIKeyMXDMZGXWNHBWBI-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.44
Rot. Bonds3

About (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 55480235) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
PubChem CID55480235
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CCC2
InChIInChI=1S/C20H24N2O3S2/c1-15-6-2-7-16-8-4-12-22(19(15)16)20(23)17-9-3-11-21(14-17)27(24,25)18-10-5-13-26-18/h2,5-7,10,13,17H,3-4,8-9,11-12,14H2,1H3
InChIKeyMXDMZGXWNHBWBI-UHFFFAOYSA-N
XLogP3.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone with MolForge

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Related Compounds

(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166194281
[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835728
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (CID 55480235) is (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is Cc1cccc2c1N(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CCC2.
What is the InChIKey of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is MXDMZGXWNHBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-15-6-2-7-16-8-4-12-22(19(15)16)20(23)17-9-3-11-21(14-17)27(24,25)18-10-5-13-26-18/h2,5-7,10,13,17H,3-4,8-9,11-12,14H2,1H3.
What are the key properties of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 404.56 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 55480235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).