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

C6H9NO2S — CID 143207853

IUPACN-ethenyl-2-methylsulfonylprop-2-en-1-imine
SMILESC=C/N=C/C(=C)S(C)(=O)=O
InChIInChI=1S/C6H9NO2S/c1-4-7-5-6(2)10(3,8)9/h4-5H,1-2H2,3H3/b7-5+
InChIKeyDKTZBGSQILGRPL-FNORWQNLSA-N
MW159.21 g/mol
LogP0.76
Rot. Bonds3

About N-ethenyl-2-methylsulfonylprop-2-en-1-imine

N-ethenyl-2-methylsulfonylprop-2-en-1-imine (PubChem CID 143207853) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-ethenyl-2-methylsulfonylprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-methylsulfonylprop-2-en-1-imine
PubChem CID143207853
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-ethenyl-2-methylsulfonylprop-2-en-1-imine
SMILESC=C/N=C/C(=C)S(C)(=O)=O
InChIInChI=1S/C6H9NO2S/c1-4-7-5-6(2)10(3,8)9/h4-5H,1-2H2,3H3/b7-5+
InChIKeyDKTZBGSQILGRPL-FNORWQNLSA-N
XLogP0.76
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(Dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 87667599
(Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine
CID 143207849
(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine
CID 143207855
(Z)-N-(1-methoxyethenyl)-2-methylsulfonylprop-2-en-1-imine
CID 143420575
(E)-2-methylsulfonyl-N-[(E)-prop-1-enyl]but-2-en-1-imine;propane
CID 144086789
(E)-N-(1-chloroethenyl)-2-methylsulfonylbut-2-en-1-imine
CID 173471869
N-[(1E)-2-methylsulfonylbuta-1,3-dienyl]methanimine
CID 143985168
(E)-2-methylsulfonyl-N-[(E)-prop-1-enyl]but-2-en-1-imine
CID 144086790
[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 146155158

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylsulfonylprop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-methylsulfonylprop-2-en-1-imine (CID 143207853) is N-ethenyl-2-methylsulfonylprop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-methylsulfonylprop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-methylsulfonylprop-2-en-1-imine is C=C/N=C/C(=C)S(C)(=O)=O.
What is the InChIKey of N-ethenyl-2-methylsulfonylprop-2-en-1-imine?
The InChIKey is DKTZBGSQILGRPL-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4-7-5-6(2)10(3,8)9/h4-5H,1-2H2,3H3/b7-5+.
What are the key properties of N-ethenyl-2-methylsulfonylprop-2-en-1-imine?
N-ethenyl-2-methylsulfonylprop-2-en-1-imine has a molecular weight of 159.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylsulfonylprop-2-en-1-imine is sourced from PubChem (CID 143207853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).