N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine

C8H12N2S2 — CID 89137900

IUPACN-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
SMILESCNCCSSc1ccccn1
InChIInChI=1S/C8H12N2S2/c1-9-6-7-11-12-8-4-2-3-5-10-8/h2-5,9H,6-7H2,1H3
InChIKeyRQPAAGWGLGWNLR-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine

N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine (PubChem CID 89137900) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
PubChem CID89137900
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC NameN-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
SMILESCNCCSSc1ccccn1
InChIInChI=1S/C8H12N2S2/c1-9-6-7-11-12-8-4-2-3-5-10-8/h2-5,9H,6-7H2,1H3
InChIKeyRQPAAGWGLGWNLR-UHFFFAOYSA-N
XLogP2.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine (CID 89137900) is N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine is CNCCSSc1ccccn1.
What is the InChIKey of N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine?
The InChIKey is RQPAAGWGLGWNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-9-6-7-11-12-8-4-2-3-5-10-8/h2-5,9H,6-7H2,1H3.
What are the key properties of N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine?
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine has a molecular weight of 200.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine is sourced from PubChem (CID 89137900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).