5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile

C8H9N3OS — CID 172898681

IUPAC5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile
SMILESCS(C)(=O)=Nc1cncc(C#N)c1
InChIInChI=1S/C8H9N3OS/c1-13(2,12)11-8-3-7(4-9)5-10-6-8/h3,5-6H,1-2H3
InChIKeyWMZWUCZMBVMUJB-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.31
Rot. Bonds1

About 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile

5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile (PubChem CID 172898681) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile
PubChem CID172898681
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile
SMILESCS(C)(=O)=Nc1cncc(C#N)c1
InChIInChI=1S/C8H9N3OS/c1-13(2,12)11-8-3-7(4-9)5-10-6-8/h3,5-6H,1-2H3
InChIKeyWMZWUCZMBVMUJB-UHFFFAOYSA-N
XLogP1.31
TPSA66.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile (CID 172898681) is 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile is CS(C)(=O)=Nc1cncc(C#N)c1.
What is the InChIKey of 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile?
The InChIKey is WMZWUCZMBVMUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-13(2,12)11-8-3-7(4-9)5-10-6-8/h3,5-6H,1-2H3.
What are the key properties of 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile?
5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile has a molecular weight of 195.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 172898681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).