imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane

C14H15N3O3S — CID 170607296

IUPACimino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1OC)c1cc(OC)ccn1
InChIInChI=1S/C14H15N3O3S/c1-19-11-5-8-17-14(10-11)21(15,18)9-6-12-13(20-2)4-3-7-16-12/h3-10,15H,1-2H3/b9-6+
InChIKeyHDBXUFJTCUIKRB-RMKNXTFCSA-N
MW305.36 g/mol
LogP2.57
Rot. Bonds5

About imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane

imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane (PubChem CID 170607296) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane
PubChem CID170607296
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameimino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1OC)c1cc(OC)ccn1
InChIInChI=1S/C14H15N3O3S/c1-19-11-5-8-17-14(10-11)21(15,18)9-6-12-13(20-2)4-3-7-16-12/h3-10,15H,1-2H3/b9-6+
InChIKeyHDBXUFJTCUIKRB-RMKNXTFCSA-N
XLogP2.57
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane?
The IUPAC name of imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane (CID 170607296) is imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane?
The canonical SMILES for imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane is [H]N=S(=O)(/C=C/c1ncccc1OC)c1cc(OC)ccn1.
What is the InChIKey of imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane?
The InChIKey is HDBXUFJTCUIKRB-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-11-5-8-17-14(10-11)21(15,18)9-6-12-13(20-2)4-3-7-16-12/h3-10,15H,1-2H3/b9-6+.
What are the key properties of imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane?
imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane has a molecular weight of 305.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(4-methoxy-2-pyridinyl)-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-λ6-sulfane is sourced from PubChem (CID 170607296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).