(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine

C7H11NO2S — CID 143207855

IUPAC(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)S(C)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-4-7(6-8-5-2)11(3,9)10/h4-6H,2H2,1,3H3/b7-4+,8-6+
InChIKeyFYQQHYMPVDBUTF-IJYBVRAASA-N
MW173.24 g/mol
LogP1.15
Rot. Bonds3

About (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine

(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine (PubChem CID 143207855) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine
PubChem CID143207855
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)S(C)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-4-7(6-8-5-2)11(3,9)10/h4-6H,2H2,1,3H3/b7-4+,8-6+
InChIKeyFYQQHYMPVDBUTF-IJYBVRAASA-N
XLogP1.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.15
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

(E)-N-methyl-3-methylsulfonylbut-2-en-1-imine
CID 117805573
(Z)-4-ethylsulfonyl-N-methylbut-2-en-1-imine
CID 134448876
(Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine
CID 134448928
ethane;(E)-N-methyl-3-methylsulfonylbut-2-en-1-imine
CID 142051004
(Z)-N-(1-chloroethenyl)-2-methylsulfonylprop-2-en-1-imine
CID 143207849
N-ethenyl-2-methylsulfonylprop-2-en-1-imine
CID 143207853
(Z)-N-(1-methylsulfonylethenyl)prop-2-en-1-imine
CID 143420576
(E)-2-methylsulfonyl-N-[(E)-prop-1-enyl]but-2-en-1-imine;propane
CID 144086789
4-Methylsulfonyl-1-azacyclohepta-1,2,4,6-tetraene
CID 169606047
(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine (CID 143207855) is (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine is C=C/N=C/C(=C\C)S(C)(=O)=O.
What is the InChIKey of (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine?
The InChIKey is FYQQHYMPVDBUTF-IJYBVRAASA-N. The full InChI is InChI=1S/C7H11NO2S/c1-4-7(6-8-5-2)11(3,9)10/h4-6H,2H2,1,3H3/b7-4+,8-6+.
What are the key properties of (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine?
(E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine has a molecular weight of 173.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-methylsulfonylbut-2-en-1-imine is sourced from PubChem (CID 143207855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).