(Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine

C7H11NO3S — CID 143420575

IUPAC(Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine
SMILESC=C(/N=C\C(=C)S(C)(=O)=O)OC
InChIInChI=1S/C7H11NO3S/c1-6(12(4,9)10)5-8-7(2)11-3/h5H,1-2H2,3-4H3/b8-5-
InChIKeyUXODPAYLKBOHJS-YVMONPNESA-N
MW189.24 g/mol
LogP0.73
Rot. Bonds4

About (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine

(Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine (PubChem CID 143420575) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine
PubChem CID143420575
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name(Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine
SMILESC=C(/N=C\C(=C)S(C)(=O)=O)OC
InChIInChI=1S/C7H11NO3S/c1-6(12(4,9)10)5-8-7(2)11-3/h5H,1-2H2,3-4H3/b8-5-
InChIKeyUXODPAYLKBOHJS-YVMONPNESA-N
XLogP0.73
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-2-methylsulfonylprop-2-en-1-imine
CID 143207853

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine?
The IUPAC name of (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine (CID 143420575) is (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine is C=C(/N=C\C(=C)S(C)(=O)=O)OC.
What is the InChIKey of (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine?
The InChIKey is UXODPAYLKBOHJS-YVMONPNESA-N. The full InChI is InChI=1S/C7H11NO3S/c1-6(12(4,9)10)5-8-7(2)11-3/h5H,1-2H2,3-4H3/b8-5-.
What are the key properties of (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine?
(Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine has a molecular weight of 189.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine is sourced from PubChem (CID 143420575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).