N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide

C15H19N3O2S — CID 43606886

IUPACN-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H19N3O2S/c1-18(13-5-8-16-9-6-13)21(19,20)15-4-2-3-12-11-17-10-7-14(12)15/h2-4,7,10-11,13,16H,5-6,8-9H2,1H3
InChIKeyYCASDPMNKRIVGQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.61
Rot. Bonds3

About N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide

N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide (PubChem CID 43606886) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
PubChem CID43606886
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H19N3O2S/c1-18(13-5-8-16-9-6-13)21(19,20)15-4-2-3-12-11-17-10-7-14(12)15/h2-4,7,10-11,13,16H,5-6,8-9H2,1H3
InChIKeyYCASDPMNKRIVGQ-UHFFFAOYSA-N
XLogP1.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide
CID 67873381
N-[1-[4-(4-cyanophenoxy)butyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide;dihydrochloride
CID 19764628
1,4-diazepane;isoquinoline-5-sulfonyl chloride
CID 175135065
N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
CID 102874432
N-(2-chloroethyl)-N-methylisoquinoline-5-sulfonamide
CID 63396436
N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide
CID 23740061
N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 114696825
1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120999700
5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline
CID 63909819
N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
CID 120720909

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide?
The IUPAC name of N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide (CID 43606886) is N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide?
The canonical SMILES for N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide is CN(C1CCNCC1)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide?
The InChIKey is YCASDPMNKRIVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(13-5-8-16-9-6-13)21(19,20)15-4-2-3-12-11-17-10-7-14(12)15/h2-4,7,10-11,13,16H,5-6,8-9H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide?
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide is sourced from PubChem (CID 43606886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).