N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine

C17H23N3O3S — CID 67403344

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(OC)cc3ccncc23)CC1
InChIInChI=1S/C17H23N3O3S/c1-3-24(21,22)20-8-5-14(6-9-20)19-17-11-15(23-2)10-13-4-7-18-12-16(13)17/h4,7,10-12,14,19H,3,5-6,8-9H2,1-2H3
InChIKeyBRIKCDXEVXERMP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.47
Rot. Bonds5

About N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine

N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine (PubChem CID 67403344) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine
PubChem CID67403344
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(OC)cc3ccncc23)CC1
InChIInChI=1S/C17H23N3O3S/c1-3-24(21,22)20-8-5-14(6-9-20)19-17-11-15(23-2)10-13-4-7-18-12-16(13)17/h4,7,10-12,14,19H,3,5-6,8-9H2,1-2H3
InChIKeyBRIKCDXEVXERMP-UHFFFAOYSA-N
XLogP2.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine (CID 67403344) is N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(OC)cc3ccncc23)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine?
The InChIKey is BRIKCDXEVXERMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-24(21,22)20-8-5-14(6-9-20)19-17-11-15(23-2)10-13-4-7-18-12-16(13)17/h4,7,10-12,14,19H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine?
N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine has a molecular weight of 349.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine is sourced from PubChem (CID 67403344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).