ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate

C12H18N2O3S — CID 139228775

IUPACethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate
SMILESCCO/C(CC)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-12(17-5-2)13-14-18(15,16)11-8-6-10(3)7-9-11/h6-9,14H,4-5H2,1-3H3/b13-12-
InChIKeyVUVXXHCRKVEHEW-SEYXRHQNSA-N
MW270.35 g/mol
LogP2.03
Rot. Bonds5

About ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate

ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate (PubChem CID 139228775) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate.

Molecular Properties

Compound Nameethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate
PubChem CID139228775
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate
SMILESCCO/C(CC)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-12(17-5-2)13-14-18(15,16)11-8-6-10(3)7-9-11/h6-9,14H,4-5H2,1-3H3/b13-12-
InChIKeyVUVXXHCRKVEHEW-SEYXRHQNSA-N
XLogP2.03
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methylphenyl)sulfonylpropanehydrazonate?
The IUPAC name of ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate (CID 139228775) is ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate.
What is the SMILES notation for ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate?
The canonical SMILES for ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate is CCO/C(CC)=N\NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate?
The InChIKey is VUVXXHCRKVEHEW-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-12(17-5-2)13-14-18(15,16)11-8-6-10(3)7-9-11/h6-9,14H,4-5H2,1-3H3/b13-12-.
What are the key properties of ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate?
ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate has a molecular weight of 270.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-(4-methylphenyl)sulfonylpropanehydrazonate is sourced from PubChem (CID 139228775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).