diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane

C10H16N2OS — CID 125450366

IUPACdiethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=Nc1cccc(C)n1
InChIInChI=1S/C10H16N2OS/c1-4-14(13,5-2)12-10-8-6-7-9(3)11-10/h6-8H,4-5H2,1-3H3
InChIKeyLEYJENNSEANKEK-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.53
Rot. Bonds3

About diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane

diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane (PubChem CID 125450366) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane.

Molecular Properties

Compound Namediethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane
PubChem CID125450366
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Namediethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=Nc1cccc(C)n1
InChIInChI=1S/C10H16N2OS/c1-4-14(13,5-2)12-10-8-6-7-9(3)11-10/h6-8H,4-5H2,1-3H3
InChIKeyLEYJENNSEANKEK-UHFFFAOYSA-N
XLogP2.53
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane?
The IUPAC name of diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane (CID 125450366) is diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane.
What is the SMILES notation for diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane?
The canonical SMILES for diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane is CCS(=O)(CC)=Nc1cccc(C)n1.
What is the InChIKey of diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane?
The InChIKey is LEYJENNSEANKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-14(13,5-2)12-10-8-6-7-9(3)11-10/h6-8H,4-5H2,1-3H3.
What are the key properties of diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane?
diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane has a molecular weight of 212.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(6-methyl-2-pyridinyl)imino]-oxo-λ6-sulfane is sourced from PubChem (CID 125450366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).