[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine

C17H16N2S — CID 63809114

IUPAC[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
SMILESCc1ccccc1Sc1nc2ccccc2cc1CN
InChIInChI=1S/C17H16N2S/c1-12-6-2-5-9-16(12)20-17-14(11-18)10-13-7-3-4-8-15(13)19-17/h2-10H,11,18H2,1H3
InChIKeyOZDDSIWIDVPLCS-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.15
Rot. Bonds3

About [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine

[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine (PubChem CID 63809114) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
PubChem CID63809114
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
SMILESCc1ccccc1Sc1nc2ccccc2cc1CN
InChIInChI=1S/C17H16N2S/c1-12-6-2-5-9-16(12)20-17-14(11-18)10-13-7-3-4-8-15(13)19-17/h2-10H,11,18H2,1H3
InChIKeyOZDDSIWIDVPLCS-UHFFFAOYSA-N
XLogP4.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine?
The IUPAC name of [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine (CID 63809114) is [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine is Cc1ccccc1Sc1nc2ccccc2cc1CN.
What is the InChIKey of [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine?
The InChIKey is OZDDSIWIDVPLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-6-2-5-9-16(12)20-17-14(11-18)10-13-7-3-4-8-15(13)19-17/h2-10H,11,18H2,1H3.
What are the key properties of [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine?
[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine has a molecular weight of 280.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine is sourced from PubChem (CID 63809114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).