N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide

C15H19N3O2S — CID 114696825

IUPACN-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccc3cnccc23)CCNCC1
InChIInChI=1S/C15H19N3O2S/c1-15(6-9-16-10-7-15)18-21(19,20)14-4-2-3-12-11-17-8-5-13(12)14/h2-5,8,11,16,18H,6-7,9-10H2,1H3
InChIKeyNRAHODRXCGSFET-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.66
Rot. Bonds3

About N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide

N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide (PubChem CID 114696825) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide
PubChem CID114696825
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccc3cnccc23)CCNCC1
InChIInChI=1S/C15H19N3O2S/c1-15(6-9-16-10-7-15)18-21(19,20)14-4-2-3-12-11-17-8-5-13(12)14/h2-5,8,11,16,18H,6-7,9-10H2,1H3
InChIKeyNRAHODRXCGSFET-UHFFFAOYSA-N
XLogP1.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]isoquinoline-5-sulfonamide
CID 115902811
1,4-diazepane;isoquinoline-5-sulfonyl chloride
CID 175135065
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
CID 25040448
N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
CID 43597051
N-[2-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide
CID 54071162
N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
CID 120720909
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
2-(isoquinolin-5-ylsulfonylamino)-2-methylpropanoic acid
CID 61263233
N-(1-bromobutan-2-yl)isoquinoline-5-sulfonamide
CID 113271950
N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
CID 11818625
(2S)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid;piperazine-1-carboxamide
CID 22876291

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide (CID 114696825) is N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide is CC1(NS(=O)(=O)c2cccc3cnccc23)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide?
The InChIKey is NRAHODRXCGSFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(6-9-16-10-7-15)18-21(19,20)14-4-2-3-12-11-17-8-5-13(12)14/h2-5,8,11,16,18H,6-7,9-10H2,1H3.
What are the key properties of N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide?
N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 114696825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).