[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine

C15H20N2S — CID 107752046

IUPAC[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine
SMILESCC(C)C(C)Sc1nc2ccccc2cc1CN
InChIInChI=1S/C15H20N2S/c1-10(2)11(3)18-15-13(9-16)8-12-6-4-5-7-14(12)17-15/h4-8,10-11H,9,16H2,1-3H3
InChIKeyNELXGCHQZUTLBI-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.83
Rot. Bonds4

About [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine

[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine (PubChem CID 107752046) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine
PubChem CID107752046
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine
SMILESCC(C)C(C)Sc1nc2ccccc2cc1CN
InChIInChI=1S/C15H20N2S/c1-10(2)11(3)18-15-13(9-16)8-12-6-4-5-7-14(12)17-15/h4-8,10-11H,9,16H2,1-3H3
InChIKeyNELXGCHQZUTLBI-UHFFFAOYSA-N
XLogP3.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
CID 63809114
[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine
CID 63808788
(2-chloroquinolin-3-yl)methanamine
CID 71748539
1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine
CID 63835711
[2-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 107752020
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 115383212
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 63809665
(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine
CID 55239413
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
CID 104603486
[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
CID 55238477

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine?
The IUPAC name of [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine (CID 107752046) is [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine.
What is the SMILES notation for [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine?
The canonical SMILES for [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine is CC(C)C(C)Sc1nc2ccccc2cc1CN.
What is the InChIKey of [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine?
The InChIKey is NELXGCHQZUTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(2)11(3)18-15-13(9-16)8-12-6-4-5-7-14(12)17-15/h4-8,10-11H,9,16H2,1-3H3.
What are the key properties of [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine?
[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine is sourced from PubChem (CID 107752046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).