ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate

C11H13NO4S — CID 10923109

IUPACethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
SMILESCCOC(=O)/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO4S/c1-3-16-11(13)8-12-17(14,15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b12-8+
InChIKeyJZWQYBAOEGPVIB-XYOKQWHBSA-N
MW255.29 g/mol
LogP1.32
Rot. Bonds4

About ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate

ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate (PubChem CID 10923109) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
PubChem CID10923109
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Nameethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
SMILESCCOC(=O)/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO4S/c1-3-16-11(13)8-12-17(14,15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b12-8+
InChIKeyJZWQYBAOEGPVIB-XYOKQWHBSA-N
XLogP1.32
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(4-methylphenyl)sulfonylprop-2-enoate
CID 11230550
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
ethyl (2E)-2-methylsulfonyliminoacetate
CID 177403590
(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide
CID 23599394
ethyl 2-(4-methylphenyl)sulfonylpropanoate
CID 10848678
4-[2-(2-ethoxy-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 176888579
ethyl (E,2Z)-4-(4-methylphenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
CID 139201593
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate?
The IUPAC name of ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate (CID 10923109) is ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate.
What is the SMILES notation for ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate?
The canonical SMILES for ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate is CCOC(=O)/C=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate?
The InChIKey is JZWQYBAOEGPVIB-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-3-16-11(13)8-12-17(14,15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b12-8+.
What are the key properties of ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate?
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate has a molecular weight of 255.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate is sourced from PubChem (CID 10923109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).