ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate

C14H19NO4S — CID 137406027

IUPACethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate
SMILESC=C/C(=N/OS(=O)(=O)c1c(C)cc(C)cc1C)OCC
InChIInChI=1S/C14H19NO4S/c1-6-13(18-7-2)15-19-20(16,17)14-11(4)8-10(3)9-12(14)5/h6,8-9H,1,7H2,2-5H3/b15-13-
InChIKeyQVTZZHXZGGXAFT-SQFISAMPSA-N
MW297.38 g/mol
LogP2.85
Rot. Bonds5

About ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate

ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate (PubChem CID 137406027) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate
PubChem CID137406027
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate
SMILESC=C/C(=N/OS(=O)(=O)c1c(C)cc(C)cc1C)OCC
InChIInChI=1S/C14H19NO4S/c1-6-13(18-7-2)15-19-20(16,17)14-11(4)8-10(3)9-12(14)5/h6,8-9H,1,7H2,2-5H3/b15-13-
InChIKeyQVTZZHXZGGXAFT-SQFISAMPSA-N
XLogP2.85
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate?
The IUPAC name of ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate (CID 137406027) is ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate.
What is the SMILES notation for ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate?
The canonical SMILES for ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate is C=C/C(=N/OS(=O)(=O)c1c(C)cc(C)cc1C)OCC.
What is the InChIKey of ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate?
The InChIKey is QVTZZHXZGGXAFT-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-6-13(18-7-2)15-19-20(16,17)14-11(4)8-10(3)9-12(14)5/h6,8-9H,1,7H2,2-5H3/b15-13-.
What are the key properties of ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate?
ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate has a molecular weight of 297.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate is sourced from PubChem (CID 137406027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).