6-ethylsulfonylisoquinolin-5-amine

C11H12N2O2S — CID 106948752

IUPAC6-ethylsulfonylisoquinolin-5-amine
SMILESCCS(=O)(=O)c1ccc2cnccc2c1N
InChIInChI=1S/C11H12N2O2S/c1-2-16(14,15)10-4-3-8-7-13-6-5-9(8)11(10)12/h3-7H,2,12H2,1H3
InChIKeyYNPYZLJKAYVPEI-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.61
Rot. Bonds2

About 6-ethylsulfonylisoquinolin-5-amine

6-ethylsulfonylisoquinolin-5-amine (PubChem CID 106948752) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-ethylsulfonylisoquinolin-5-amine.

Molecular Properties

Compound Name6-ethylsulfonylisoquinolin-5-amine
PubChem CID106948752
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name6-ethylsulfonylisoquinolin-5-amine
SMILESCCS(=O)(=O)c1ccc2cnccc2c1N
InChIInChI=1S/C11H12N2O2S/c1-2-16(14,15)10-4-3-8-7-13-6-5-9(8)11(10)12/h3-7H,2,12H2,1H3
InChIKeyYNPYZLJKAYVPEI-UHFFFAOYSA-N
XLogP1.61
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-propylsulfanylisoquinolin-5-amine
CID 106948782
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide
CID 106948362
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
3,8-phenanthroline
CID 13064691
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203
1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
CID 106948429
6-N-(3-ethoxypropyl)isoquinoline-5,6-diamine
CID 106947522
2-[(5-aminoisoquinolin-6-yl)-propan-2-ylamino]acetamide
CID 106947872
ethyl 4-[(5-aminoisoquinolin-6-yl)amino]butanoate
CID 106948155
6-N-butyl-6-N-ethylisoquinoline-5,6-diamine
CID 106947469
6-N-ethyl-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947622

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonylisoquinolin-5-amine?
The IUPAC name of 6-ethylsulfonylisoquinolin-5-amine (CID 106948752) is 6-ethylsulfonylisoquinolin-5-amine.
What is the SMILES notation for 6-ethylsulfonylisoquinolin-5-amine?
The canonical SMILES for 6-ethylsulfonylisoquinolin-5-amine is CCS(=O)(=O)c1ccc2cnccc2c1N.
What is the InChIKey of 6-ethylsulfonylisoquinolin-5-amine?
The InChIKey is YNPYZLJKAYVPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-16(14,15)10-4-3-8-7-13-6-5-9(8)11(10)12/h3-7H,2,12H2,1H3.
What are the key properties of 6-ethylsulfonylisoquinolin-5-amine?
6-ethylsulfonylisoquinolin-5-amine has a molecular weight of 236.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonylisoquinolin-5-amine is sourced from PubChem (CID 106948752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).