8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine

C14H12N2OS — CID 103140935

IUPAC8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine
SMILESNc1ccc(SCc2ccco2)c2cnccc12
InChIInChI=1S/C14H12N2OS/c15-13-3-4-14(12-8-16-6-5-11(12)13)18-9-10-2-1-7-17-10/h1-8H,9,15H2
InChIKeyCUCYDNREBMTAEJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.70
Rot. Bonds3

About 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine

8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine (PubChem CID 103140935) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine
PubChem CID103140935
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine
SMILESNc1ccc(SCc2ccco2)c2cnccc12
InChIInChI=1S/C14H12N2OS/c15-13-3-4-14(12-8-16-6-5-11(12)13)18-9-10-2-1-7-17-10/h1-8H,9,15H2
InChIKeyCUCYDNREBMTAEJ-UHFFFAOYSA-N
XLogP3.70
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-aminoisoquinolin-8-yl)sulfanylethanol
CID 103140967
8-(3-methylbutylsulfanyl)isoquinolin-5-amine
CID 107748090
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
8-[(3-chloro-2-pyridinyl)sulfanyl]isoquinolin-5-amine
CID 103141076
methyl 3-(5-aminoisoquinolin-8-yl)sulfanylpropanoate
CID 103140969
8-[(3-bromo-2-pyridinyl)sulfanyl]isoquinolin-5-amine
CID 103141068
2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)-3-methoxypyridine
CID 22117326
8-chloroisoquinolin-5-amine
CID 53421157
8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine
CID 103140873
4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide
CID 82900112
5-(furan-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 43243212

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine?
The IUPAC name of 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine (CID 103140935) is 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine.
What is the SMILES notation for 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine?
The canonical SMILES for 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine is Nc1ccc(SCc2ccco2)c2cnccc12.
What is the InChIKey of 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine?
The InChIKey is CUCYDNREBMTAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-13-3-4-14(12-8-16-6-5-11(12)13)18-9-10-2-1-7-17-10/h1-8H,9,15H2.
What are the key properties of 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine?
8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine has a molecular weight of 256.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine is sourced from PubChem (CID 103140935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).