4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide

C17H19N5O3S — CID 126802572

IUPAC4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1
InChIInChI=1S/C17H19N5O3S/c1-18-26(23,24)22-10-7-13(8-11-22)17-20-16(21-25-17)15-14-5-3-2-4-12(14)6-9-19-15/h2-6,9,13,18H,7-8,10-11H2,1H3
InChIKeyAZFCHTPWWZXCHZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.93
Rot. Bonds4

About 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide

4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide (PubChem CID 126802572) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide
PubChem CID126802572
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1
InChIInChI=1S/C17H19N5O3S/c1-18-26(23,24)22-10-7-13(8-11-22)17-20-16(21-25-17)15-14-5-3-2-4-12(14)6-9-19-15/h2-6,9,13,18H,7-8,10-11H2,1H3
InChIKeyAZFCHTPWWZXCHZ-UHFFFAOYSA-N
XLogP1.93
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide with MolForge

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Related Compounds

3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)thiane 1,1-dioxide
CID 126840136
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63949890
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 154769724
N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 126803332
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 63948617
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903
N-ethyl-3-isoquinolin-1-yl-1,2,4-oxadiazol-5-amine
CID 63950489
3-(2-methylphenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 99130325
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120834902
1-cyclopropyl-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 63950495
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250

Frequently Asked Questions

What is the IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide (CID 126802572) is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1.
What is the InChIKey of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is AZFCHTPWWZXCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-18-26(23,24)22-10-7-13(8-11-22)17-20-16(21-25-17)15-14-5-3-2-4-12(14)6-9-19-15/h2-6,9,13,18H,7-8,10-11H2,1H3.
What are the key properties of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide?
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 126802572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).