N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine

C12H15NOS — CID 178143416

IUPACN-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine
SMILESC=C/N=C(\C)c1ccc(S(C)=O)cc1C
InChIInChI=1S/C12H15NOS/c1-5-13-10(3)12-7-6-11(15(4)14)8-9(12)2/h5-8H,1H2,2-4H3/b13-10+
InChIKeySZBMUPIHEFHWKC-JLHYYAGUSA-N
MW221.32 g/mol
LogP2.68
Rot. Bonds3

About N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine

N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine (PubChem CID 178143416) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine.

Molecular Properties

Compound NameN-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine
PubChem CID178143416
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine
SMILESC=C/N=C(\C)c1ccc(S(C)=O)cc1C
InChIInChI=1S/C12H15NOS/c1-5-13-10(3)12-7-6-11(15(4)14)8-9(12)2/h5-8H,1H2,2-4H3/b13-10+
InChIKeySZBMUPIHEFHWKC-JLHYYAGUSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine?
The IUPAC name of N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine (CID 178143416) is N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine.
What is the SMILES notation for N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine?
The canonical SMILES for N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine is C=C/N=C(\C)c1ccc(S(C)=O)cc1C.
What is the InChIKey of N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine?
The InChIKey is SZBMUPIHEFHWKC-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15NOS/c1-5-13-10(3)12-7-6-11(15(4)14)8-9(12)2/h5-8H,1H2,2-4H3/b13-10+.
What are the key properties of N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine?
N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine has a molecular weight of 221.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(2-methyl-4-methylsulfinylphenyl)ethanimine is sourced from PubChem (CID 178143416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).