6-(2-methylpropylsulfanyl)quinolin-5-amine

C13H16N2S — CID 43809927

IUPAC6-(2-methylpropylsulfanyl)quinolin-5-amine
SMILESCC(C)CSc1ccc2ncccc2c1N
InChIInChI=1S/C13H16N2S/c1-9(2)8-16-12-6-5-11-10(13(12)14)4-3-7-15-11/h3-7,9H,8,14H2,1-2H3
InChIKeyWSNFTBUONLVCDZ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.57
Rot. Bonds3

About 6-(2-methylpropylsulfanyl)quinolin-5-amine

6-(2-methylpropylsulfanyl)quinolin-5-amine (PubChem CID 43809927) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 6-(2-methylpropylsulfanyl)quinolin-5-amine.

Molecular Properties

Compound Name6-(2-methylpropylsulfanyl)quinolin-5-amine
PubChem CID43809927
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name6-(2-methylpropylsulfanyl)quinolin-5-amine
SMILESCC(C)CSc1ccc2ncccc2c1N
InChIInChI=1S/C13H16N2S/c1-9(2)8-16-12-6-5-11-10(13(12)14)4-3-7-15-11/h3-7,9H,8,14H2,1-2H3
InChIKeyWSNFTBUONLVCDZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylsulfanyl)quinolin-5-amine?
The IUPAC name of 6-(2-methylpropylsulfanyl)quinolin-5-amine (CID 43809927) is 6-(2-methylpropylsulfanyl)quinolin-5-amine.
What is the SMILES notation for 6-(2-methylpropylsulfanyl)quinolin-5-amine?
The canonical SMILES for 6-(2-methylpropylsulfanyl)quinolin-5-amine is CC(C)CSc1ccc2ncccc2c1N.
What is the InChIKey of 6-(2-methylpropylsulfanyl)quinolin-5-amine?
The InChIKey is WSNFTBUONLVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)8-16-12-6-5-11-10(13(12)14)4-3-7-15-11/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 6-(2-methylpropylsulfanyl)quinolin-5-amine?
6-(2-methylpropylsulfanyl)quinolin-5-amine has a molecular weight of 232.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylsulfanyl)quinolin-5-amine is sourced from PubChem (CID 43809927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).