N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide

C16H18BrN3O3S — CID 17023445

IUPACN-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)c3cccnc23)C1
InChIInChI=1S/C16H18BrN3O3S/c1-24(22,23)20-9-3-4-11(10-20)16(21)19-14-7-6-13(17)12-5-2-8-18-15(12)14/h2,5-8,11H,3-4,9-10H2,1H3,(H,19,21)
InChIKeyHTAWKTAMGBECOD-UHFFFAOYSA-N
MW412.31 g/mol
LogP2.61
Rot. Bonds3

About N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide

N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 17023445) has the molecular formula C16H18BrN3O3S and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID17023445
Molecular FormulaC16H18BrN3O3S
Molecular Weight412.31 g/mol
Exact Mass411.03
IUPAC NameN-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)c3cccnc23)C1
InChIInChI=1S/C16H18BrN3O3S/c1-24(22,23)20-9-3-4-11(10-20)16(21)19-14-7-6-13(17)12-5-2-8-18-15(12)14/h2,5-8,11H,3-4,9-10H2,1H3,(H,19,21)
InChIKeyHTAWKTAMGBECOD-UHFFFAOYSA-N
XLogP2.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-bromo-4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25490278
(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide
CID 51942549
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
CID 131914481
(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
CID 41025456
(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9325562
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 39854859
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide (CID 17023445) is N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)c3cccnc23)C1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is HTAWKTAMGBECOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S/c1-24(22,23)20-9-3-4-11(10-20)16(21)19-14-7-6-13(17)12-5-2-8-18-15(12)14/h2,5-8,11H,3-4,9-10H2,1H3,(H,19,21).
What are the key properties of N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 17023445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).