(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine

C14H12N2S2 — CID 55239413

IUPAC(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1Sc1cccs1
InChIInChI=1S/C14H12N2S2/c15-9-11-8-10-4-1-2-5-12(10)16-14(11)18-13-6-3-7-17-13/h1-8H,9,15H2
InChIKeyHNICNQADXUTDPX-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.91
Rot. Bonds3

About (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine

(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine (PubChem CID 55239413) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine
PubChem CID55239413
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1Sc1cccs1
InChIInChI=1S/C14H12N2S2/c15-9-11-8-10-4-1-2-5-12(10)16-14(11)18-13-6-3-7-17-13/h1-8H,9,15H2
InChIKeyHNICNQADXUTDPX-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine?
The IUPAC name of (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine (CID 55239413) is (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine.
What is the SMILES notation for (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine?
The canonical SMILES for (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine is NCc1cc2ccccc2nc1Sc1cccs1.
What is the InChIKey of (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine?
The InChIKey is HNICNQADXUTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c15-9-11-8-10-4-1-2-5-12(10)16-14(11)18-13-6-3-7-17-13/h1-8H,9,15H2.
What are the key properties of (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine?
(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine has a molecular weight of 272.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine is sourced from PubChem (CID 55239413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).