6-methylsulfanylquinolin-8-amine

C10H10N2S — CID 57487958

IUPAC6-methylsulfanylquinolin-8-amine
SMILESCSc1cc(N)c2ncccc2c1
InChIInChI=1S/C10H10N2S/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
InChIKeySXXPWIKUFGNRRI-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.54
Rot. Bonds1

About 6-methylsulfanylquinolin-8-amine

6-methylsulfanylquinolin-8-amine (PubChem CID 57487958) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 6-methylsulfanylquinolin-8-amine.

Molecular Properties

Compound Name6-methylsulfanylquinolin-8-amine
PubChem CID57487958
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name6-methylsulfanylquinolin-8-amine
SMILESCSc1cc(N)c2ncccc2c1
InChIInChI=1S/C10H10N2S/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
InChIKeySXXPWIKUFGNRRI-UHFFFAOYSA-N
XLogP2.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methylsulfanylquinolin-8-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

6-methoxyquinolin-8-amine;hydrochloride
CID 51063263
4-methyl-6-methylsulfanylquinolin-8-amine
CID 609298
ethane;quinolin-8-amine
CID 91158659
6-fluoro-8-methylsulfanylquinoline
CID 170900378
6-(1-methoxyethenyl)quinolin-8-amine
CID 156718264
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
8-ethyl-1,7-naphthyridin-6-amine
CID 53237023
6-(1-methoxypropa-1,2-dienyl)quinolin-8-amine
CID 176529283
1,6-naphthyridin-8-amine
CID 55290958
benzo[g]quinolin-10-amine
CID 23616349
8-chloroquinolin-6-amine
CID 53435994
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249014

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylquinolin-8-amine?
The IUPAC name of 6-methylsulfanylquinolin-8-amine (CID 57487958) is 6-methylsulfanylquinolin-8-amine.
What is the SMILES notation for 6-methylsulfanylquinolin-8-amine?
The canonical SMILES for 6-methylsulfanylquinolin-8-amine is CSc1cc(N)c2ncccc2c1.
What is the InChIKey of 6-methylsulfanylquinolin-8-amine?
The InChIKey is SXXPWIKUFGNRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3.
What are the key properties of 6-methylsulfanylquinolin-8-amine?
6-methylsulfanylquinolin-8-amine has a molecular weight of 190.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylquinolin-8-amine is sourced from PubChem (CID 57487958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).