methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate

C17H18N2O3S — CID 59950872

IUPACmethyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate
SMILESCO/C(C)=N/C(=C/c1ccc(SOON)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-13(20-2)19-17(15-6-4-3-5-7-15)12-14-8-10-16(11-9-14)23-22-21-18/h3-12H,18H2,1-2H3/b17-12+,19-13+
InChIKeyRYNIFYGHNQLBCJ-RNCFGZQNSA-N
MW330.41 g/mol
LogP4.08
Rot. Bonds6

About methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate

methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate (PubChem CID 59950872) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate.

Molecular Properties

Compound Namemethyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate
PubChem CID59950872
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Namemethyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate
SMILESCO/C(C)=N/C(=C/c1ccc(SOON)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-13(20-2)19-17(15-6-4-3-5-7-15)12-14-8-10-16(11-9-14)23-22-21-18/h3-12H,18H2,1-2H3/b17-12+,19-13+
InChIKeyRYNIFYGHNQLBCJ-RNCFGZQNSA-N
XLogP4.08
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-1,2-diphenylethenyl]-1-phenylethanimine
CID 14709228
N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
CID 122389221
methyl N-hydroxybenzenecarboximidate
CID 583889
methyl N-methylbenzenecarboximidate
CID 519475
N-(1,2-diphenylethenyldiazenyl)-N-propan-2-ylpropan-2-amine
CID 118609568
methyl N-acetylbenzenecarboximidate
CID 13028603
methyl N-methoxycarbonylbenzenecarboximidate
CID 86114469
(Z)-1-methoxy-2-phenylethenethiol
CID 12543362
(E)-1-(methoxyamino)-2-phenylethenol
CID 10012253
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
4-(2-phenylprop-1-enyl)phenol
CID 54547938

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate?
The IUPAC name of methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate (CID 59950872) is methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate.
What is the SMILES notation for methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate?
The canonical SMILES for methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate is CO/C(C)=N/C(=C/c1ccc(SOON)cc1)c1ccccc1.
What is the InChIKey of methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate?
The InChIKey is RYNIFYGHNQLBCJ-RNCFGZQNSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13(20-2)19-17(15-6-4-3-5-7-15)12-14-8-10-16(11-9-14)23-22-21-18/h3-12H,18H2,1-2H3/b17-12+,19-13+.
What are the key properties of methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate?
methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate has a molecular weight of 330.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-2-(4-aminoperoxysulfanylphenyl)-1-phenylethenyl]ethanimidate is sourced from PubChem (CID 59950872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).