5-propan-2-ylsulfanylquinolin-8-amine

C12H14N2S — CID 60886799

IUPAC5-propan-2-ylsulfanylquinolin-8-amine
SMILESCC(C)Sc1ccc(N)c2ncccc12
InChIInChI=1S/C12H14N2S/c1-8(2)15-11-6-5-10(13)12-9(11)4-3-7-14-12/h3-8H,13H2,1-2H3
InChIKeyGSMFREBCCQKWMB-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.32
Rot. Bonds2

About 5-propan-2-ylsulfanylquinolin-8-amine

5-propan-2-ylsulfanylquinolin-8-amine (PubChem CID 60886799) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 5-propan-2-ylsulfanylquinolin-8-amine.

Molecular Properties

Compound Name5-propan-2-ylsulfanylquinolin-8-amine
PubChem CID60886799
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name5-propan-2-ylsulfanylquinolin-8-amine
SMILESCC(C)Sc1ccc(N)c2ncccc12
InChIInChI=1S/C12H14N2S/c1-8(2)15-11-6-5-10(13)12-9(11)4-3-7-14-12/h3-8H,13H2,1-2H3
InChIKeyGSMFREBCCQKWMB-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.32
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

(8-aminoquinolin-5-yl) thiocyanate
CID 115327856
5-propan-2-yloxyquinolin-8-amine
CID 43449641
5-(3-methylphenyl)sulfanylquinolin-8-amine
CID 61244888
5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine
CID 43449691
methyl 3-(8-aminoquinolin-5-yl)sulfanylpropanoate
CID 43617645
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
5-methylsulfinylquinolin-8-amine
CID 164876860
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine
CID 43382839
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
2-methyl-4-propan-2-ylsulfanyl-1,10-phenanthroline
CID 59497127

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfanylquinolin-8-amine?
The IUPAC name of 5-propan-2-ylsulfanylquinolin-8-amine (CID 60886799) is 5-propan-2-ylsulfanylquinolin-8-amine.
What is the SMILES notation for 5-propan-2-ylsulfanylquinolin-8-amine?
The canonical SMILES for 5-propan-2-ylsulfanylquinolin-8-amine is CC(C)Sc1ccc(N)c2ncccc12.
What is the InChIKey of 5-propan-2-ylsulfanylquinolin-8-amine?
The InChIKey is GSMFREBCCQKWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8(2)15-11-6-5-10(13)12-9(11)4-3-7-14-12/h3-8H,13H2,1-2H3.
What are the key properties of 5-propan-2-ylsulfanylquinolin-8-amine?
5-propan-2-ylsulfanylquinolin-8-amine has a molecular weight of 218.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfanylquinolin-8-amine is sourced from PubChem (CID 60886799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).