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

C6H8ClNO2S — CID 143207849

IUPAC(Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine
SMILESC=C(Cl)/N=C\C(=C)S(C)(=O)=O
InChIInChI=1S/C6H8ClNO2S/c1-5(11(3,9)10)4-8-6(2)7/h4H,1-2H2,3H3/b8-4-
InChIKeyIQGSSHRBJRMICL-YWEYNIOJSA-N
MW193.65 g/mol
LogP1.33
Rot. Bonds3

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

(Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine (PubChem CID 143207849) has the molecular formula C6H8ClNO2S and a molecular weight of 193.65 g/mol. Its IUPAC name is (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine
PubChem CID143207849
Molecular FormulaC6H8ClNO2S
Molecular Weight193.65 g/mol
Exact Mass193.00
IUPAC Name(Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine
SMILESC=C(Cl)/N=C\C(=C)S(C)(=O)=O
InChIInChI=1S/C6H8ClNO2S/c1-5(11(3,9)10)4-8-6(2)7/h4H,1-2H2,3H3/b8-4-
InChIKeyIQGSSHRBJRMICL-YWEYNIOJSA-N
XLogP1.33
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-2-methylsulfonylprop-2-en-1-imine
CID 143207853
(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine
CID 143207855
(E)-N-(1-chloroethenyl)-2-methylsulfonylbut-2-en-1-imine
CID 173471869

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine?
The IUPAC name of (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine (CID 143207849) is (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine is C=C(Cl)/N=C\C(=C)S(C)(=O)=O.
What is the InChIKey of (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine?
The InChIKey is IQGSSHRBJRMICL-YWEYNIOJSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c1-5(11(3,9)10)4-8-6(2)7/h4H,1-2H2,3H3/b8-4-.
What are the key properties of (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine?
(Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine has a molecular weight of 193.65 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine is sourced from PubChem (CID 143207849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).