8-(propan-2-ylsulfinylmethyl)quinolin-5-amine

C13H16N2OS — CID 61289256

IUPAC8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
SMILESCC(C)S(=O)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N2OS/c1-9(2)17(16)8-10-5-6-12(14)11-4-3-7-15-13(10)11/h3-7,9H,8,14H2,1-2H3
InChIKeyUTQDIKUUXJGCEO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.47
Rot. Bonds3

About 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine

8-(propan-2-ylsulfinylmethyl)quinolin-5-amine (PubChem CID 61289256) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine.

Molecular Properties

Compound Name8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
PubChem CID61289256
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
SMILESCC(C)S(=O)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N2OS/c1-9(2)17(16)8-10-5-6-12(14)11-4-3-7-15-13(10)11/h3-7,9H,8,14H2,1-2H3
InChIKeyUTQDIKUUXJGCEO-UHFFFAOYSA-N
XLogP2.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.47
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-(2-methoxyethylsulfinylmethyl)quinolin-5-amine
CID 61286603
1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579624
8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
CID 43376007
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
CID 43375996
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
3-[(5-aminoquinolin-8-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66104423
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
CID 61450348
3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
CID 55174134
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933

Frequently Asked Questions

What is the IUPAC name of 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine?
The IUPAC name of 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine (CID 61289256) is 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine.
What is the SMILES notation for 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine?
The canonical SMILES for 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine is CC(C)S(=O)Cc1ccc(N)c2cccnc12.
What is the InChIKey of 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine?
The InChIKey is UTQDIKUUXJGCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(2)17(16)8-10-5-6-12(14)11-4-3-7-15-13(10)11/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine?
8-(propan-2-ylsulfinylmethyl)quinolin-5-amine has a molecular weight of 248.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-ylsulfinylmethyl)quinolin-5-amine is sourced from PubChem (CID 61289256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).