N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide

C22H26N4O2S — CID 52932493

IUPACN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
SMILESN#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)N1CCCCC1)CN2Cc1ccccc1
InChIInChI=1S/C22H26N4O2S/c23-15-19-9-10-22-20(13-19)14-21(17-25(22)16-18-7-3-1-4-8-18)24-29(27,28)26-11-5-2-6-12-26/h1,3-4,7-10,13,21,24H,2,5-6,11-12,14,16-17H2/t21-/m0/s1
InChIKeyUPQOILMGGHIWCC-NRFANRHFSA-N
MW410.54 g/mol
LogP2.81
Rot. Bonds5

About N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide

N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide (PubChem CID 52932493) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
PubChem CID52932493
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
SMILESN#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)N1CCCCC1)CN2Cc1ccccc1
InChIInChI=1S/C22H26N4O2S/c23-15-19-9-10-22-20(13-19)14-21(17-25(22)16-18-7-3-1-4-8-18)24-29(27,28)26-11-5-2-6-12-26/h1,3-4,7-10,13,21,24H,2,5-6,11-12,14,16-17H2/t21-/m0/s1
InChIKeyUPQOILMGGHIWCC-NRFANRHFSA-N
XLogP2.81
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 66757324
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]thiophene-2-sulfonamide
CID 11362765
N-[(3S)-1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68581032
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide
CID 68580995
cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 11604237
N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
CID 59778201
N-[1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-1-phenylmethanesulfonamide
CID 52932427
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 42381458
3-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 118138114
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 42193458
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 45234279

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide?
The IUPAC name of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide (CID 52932493) is N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide is N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)N1CCCCC1)CN2Cc1ccccc1.
What is the InChIKey of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide?
The InChIKey is UPQOILMGGHIWCC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N4O2S/c23-15-19-9-10-22-20(13-19)14-21(17-25(22)16-18-7-3-1-4-8-18)24-29(27,28)26-11-5-2-6-12-26/h1,3-4,7-10,13,21,24H,2,5-6,11-12,14,16-17H2/t21-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide?
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 52932493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).