5-methylsulfinylquinolin-8-amine

C10H10N2OS — CID 164876860

IUPAC5-methylsulfinylquinolin-8-amine
SMILESCS(=O)c1ccc(N)c2ncccc12
InChIInChI=1S/C10H10N2OS/c1-14(13)9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,11H2,1H3
InChIKeySGNXJLFCYXWZGC-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.55
Rot. Bonds1

About 5-methylsulfinylquinolin-8-amine

5-methylsulfinylquinolin-8-amine (PubChem CID 164876860) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-methylsulfinylquinolin-8-amine.

Molecular Properties

Compound Name5-methylsulfinylquinolin-8-amine
PubChem CID164876860
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name5-methylsulfinylquinolin-8-amine
SMILESCS(=O)c1ccc(N)c2ncccc12
InChIInChI=1S/C10H10N2OS/c1-14(13)9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,11H2,1H3
InChIKeySGNXJLFCYXWZGC-UHFFFAOYSA-N
XLogP1.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfinylnaphthalen-1-amine
CID 130018058
5-N-cyclopentyl-5-N-methylquinoline-5,8-diamine
CID 43382838
8-methylsulfinylquinoline;hydrate
CID 143541926
5-propan-2-ylsulfanylquinolin-8-amine
CID 60886799
8-aminoquinoline-5-carboxylate
CID 131744145
5-propan-2-yloxyquinolin-8-amine
CID 43449641
sodium 8-methylquinoline-5-sulfinate
CID 131206399
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-propylsulfonylquinolin-8-amine
CID 43449396
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
CID 61289256
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinylquinolin-8-amine?
The IUPAC name of 5-methylsulfinylquinolin-8-amine (CID 164876860) is 5-methylsulfinylquinolin-8-amine.
What is the SMILES notation for 5-methylsulfinylquinolin-8-amine?
The canonical SMILES for 5-methylsulfinylquinolin-8-amine is CS(=O)c1ccc(N)c2ncccc12.
What is the InChIKey of 5-methylsulfinylquinolin-8-amine?
The InChIKey is SGNXJLFCYXWZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-14(13)9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,11H2,1H3.
What are the key properties of 5-methylsulfinylquinolin-8-amine?
5-methylsulfinylquinolin-8-amine has a molecular weight of 206.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinylquinolin-8-amine is sourced from PubChem (CID 164876860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).