imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane

C14H14N2O2S — CID 170607333

IUPACimino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccn1)c1ccc(OC)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-13-5-7-14(8-6-13)19(15,17)11-9-12-4-2-3-10-16-12/h2-11,15H,1H3/b11-9+
InChIKeyWUFIBODCGPVYOF-PKNBQFBNSA-N
MW274.35 g/mol
LogP3.17
Rot. Bonds4

About imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane

imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane (PubChem CID 170607333) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane
PubChem CID170607333
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Nameimino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ccccn1)c1ccc(OC)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-13-5-7-14(8-6-13)19(15,17)11-9-12-4-2-3-10-16-12/h2-11,15H,1H3/b11-9+
InChIKeyWUFIBODCGPVYOF-PKNBQFBNSA-N
XLogP3.17
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane?
The IUPAC name of imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane (CID 170607333) is imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane.
What is the SMILES notation for imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane?
The canonical SMILES for imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane is [H]N=S(=O)(/C=C/c1ccccn1)c1ccc(OC)cc1.
What is the InChIKey of imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane?
The InChIKey is WUFIBODCGPVYOF-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-13-5-7-14(8-6-13)19(15,17)11-9-12-4-2-3-10-16-12/h2-11,15H,1H3/b11-9+.
What are the key properties of imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane?
imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane has a molecular weight of 274.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(4-methoxyphenyl)-oxo-[(E)-2-pyridin-2-ylethenyl]-λ6-sulfane is sourced from PubChem (CID 170607333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).