N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine

C23H27N3O2S — CID 45274552

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1
InChIInChI=1S/C23H27N3O2S/c1-3-29(27,28)26-11-8-21(9-12-26)25-23-15-20(18-6-4-5-17(2)13-18)14-19-7-10-24-16-22(19)23/h4-7,10,13-16,21,25H,3,8-9,11-12H2,1-2H3
InChIKeyUDNMACTYOOVMFN-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.44
Rot. Bonds5

About N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine

N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine (PubChem CID 45274552) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine
PubChem CID45274552
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1
InChIInChI=1S/C23H27N3O2S/c1-3-29(27,28)26-11-8-21(9-12-26)25-23-15-20(18-6-4-5-17(2)13-18)14-19-7-10-24-16-22(19)23/h4-7,10,13-16,21,25H,3,8-9,11-12H2,1-2H3
InChIKeyUDNMACTYOOVMFN-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-methylbenzonitrile
CID 59535034
4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzene-1,2-dicarbonitrile
CID 59535054
6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534763
N-(1-ethylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine
CID 59534915
N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide
CID 59534943
6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59535283
3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propanenitrile
CID 59534824
N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine
CID 67403344
6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534986
6-(1-methylindazol-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 59534768
3-[[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]amino]benzonitrile
CID 67402421
cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158549113

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine (CID 45274552) is N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C)c3)cc3ccncc23)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine?
The InChIKey is UDNMACTYOOVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-3-29(27,28)26-11-8-21(9-12-26)25-23-15-20(18-6-4-5-17(2)13-18)14-19-7-10-24-16-22(19)23/h4-7,10,13-16,21,25H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine?
N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine has a molecular weight of 409.56 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-6-(3-methylphenyl)isoquinolin-8-amine is sourced from PubChem (CID 45274552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).