8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine

C16H14N2OS — CID 103140873

IUPAC8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine
SMILESCOc1cccc(Sc2ccc(N)c3ccncc23)c1
InChIInChI=1S/C16H14N2OS/c1-19-11-3-2-4-12(9-11)20-16-6-5-15(17)13-7-8-18-10-14(13)16/h2-10H,17H2,1H3
InChIKeyYXJYXFGVXAMQDY-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.98
Rot. Bonds3

About 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine

8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine (PubChem CID 103140873) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine.

Molecular Properties

Compound Name8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine
PubChem CID103140873
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine
SMILESCOc1cccc(Sc2ccc(N)c3ccncc23)c1
InChIInChI=1S/C16H14N2OS/c1-19-11-3-2-4-12(9-11)20-16-6-5-15(17)13-7-8-18-10-14(13)16/h2-10H,17H2,1H3
InChIKeyYXJYXFGVXAMQDY-UHFFFAOYSA-N
XLogP3.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.98
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

5-phenylsulfanylisoquinolin-8-amine
CID 43382774
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501
2-(3-methoxyphenyl)sulfanyl-5-nitroaniline
CID 62506493
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
3-amino-4-(3-methoxyphenyl)sulfanylbenzenesulfonamide
CID 43331004
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
nitroso 3-(3-methoxyphenyl)sulfanylpyridine-4-carboxylate
CID 175595192
methyl 3-(5-aminoisoquinolin-8-yl)sulfanylpropanoate
CID 103140969
8-(1,3-benzothiazol-2-ylsulfanyl)isoquinolin-5-amine
CID 103140846
5-amino-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 61297850
8-[(3-bromo-2-pyridinyl)sulfanyl]isoquinolin-5-amine
CID 103141068
2-(5-aminoisoquinolin-8-yl)sulfanylethanol
CID 103140967

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine?
The IUPAC name of 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine (CID 103140873) is 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine.
What is the SMILES notation for 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine?
The canonical SMILES for 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine is COc1cccc(Sc2ccc(N)c3ccncc23)c1.
What is the InChIKey of 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine?
The InChIKey is YXJYXFGVXAMQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-11-3-2-4-12(9-11)20-16-6-5-15(17)13-7-8-18-10-14(13)16/h2-10H,17H2,1H3.
What are the key properties of 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine?
8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine has a molecular weight of 282.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine is sourced from PubChem (CID 103140873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).