N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride

C15H20ClN3O2S — CID 119960786

IUPACN-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1cccc2cccnc12)NC1CCNCC1
InChIInChI=1S/C15H19N3O2S.ClH/c19-21(20,18-14-6-9-16-10-7-14)11-13-4-1-3-12-5-2-8-17-15(12)13;/h1-5,8,14,16,18H,6-7,9-11H2;1H
InChIKeyWAEFHADSMCMJGY-UHFFFAOYSA-N
MW341.86 g/mol
LogP1.83
Rot. Bonds4

About N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride

N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride (PubChem CID 119960786) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
PubChem CID119960786
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1cccc2cccnc12)NC1CCNCC1
InChIInChI=1S/C15H19N3O2S.ClH/c19-21(20,18-14-6-9-16-10-7-14)11-13-4-1-3-12-5-2-8-17-15(12)13;/h1-5,8,14,16,18H,6-7,9-11H2;1H
InChIKeyWAEFHADSMCMJGY-UHFFFAOYSA-N
XLogP1.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
CID 119974476
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
N-(quinolin-8-ylmethylsulfonyl)cyclopropanecarboxamide
CID 155945521
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-quinolin-8-ylmethanesulfonamide
CID 129425381
2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
CID 119840582
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 75433584
N-[(1R,3S)-3-methoxyspiro[3.3]heptan-1-yl]-1-quinolin-8-ylmethanesulfonamide
CID 126422665
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
CID 119983405
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192
N-cycloheptylquinoline-8-sulfonamide
CID 3244108

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride (CID 119960786) is N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1cccc2cccnc12)NC1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride?
The InChIKey is WAEFHADSMCMJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c19-21(20,18-14-6-9-16-10-7-14)11-13-4-1-3-12-5-2-8-17-15(12)13;/h1-5,8,14,16,18H,6-7,9-11H2;1H.
What are the key properties of N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride?
N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119960786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).