2-ethylsulfonyl-N-methylethanimine

C5H11NO2S — CID 91044132

IUPAC2-ethylsulfonyl-N-methylethanimine
SMILESCCS(=O)(=O)C/C=N/C
InChIInChI=1S/C5H11NO2S/c1-3-9(7,8)5-4-6-2/h4H,3,5H2,1-2H3/b6-4+
InChIKeyNUHJLYRJKGDKAP-GQCTYLIASA-N
MW149.22 g/mol
LogP0.12
Rot. Bonds3

About 2-ethylsulfonyl-N-methylethanimine

2-ethylsulfonyl-N-methylethanimine (PubChem CID 91044132) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methylethanimine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methylethanimine
PubChem CID91044132
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-ethylsulfonyl-N-methylethanimine
SMILESCCS(=O)(=O)C/C=N/C
InChIInChI=1S/C5H11NO2S/c1-3-9(7,8)5-4-6-2/h4H,3,5H2,1-2H3/b6-4+
InChIKeyNUHJLYRJKGDKAP-GQCTYLIASA-N
XLogP0.12
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-ethylsulfonyl-N-methylethanimine?
The IUPAC name of 2-ethylsulfonyl-N-methylethanimine (CID 91044132) is 2-ethylsulfonyl-N-methylethanimine.
What is the SMILES notation for 2-ethylsulfonyl-N-methylethanimine?
The canonical SMILES for 2-ethylsulfonyl-N-methylethanimine is CCS(=O)(=O)C/C=N/C.
What is the InChIKey of 2-ethylsulfonyl-N-methylethanimine?
The InChIKey is NUHJLYRJKGDKAP-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO2S/c1-3-9(7,8)5-4-6-2/h4H,3,5H2,1-2H3/b6-4+.
What are the key properties of 2-ethylsulfonyl-N-methylethanimine?
2-ethylsulfonyl-N-methylethanimine has a molecular weight of 149.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methylethanimine is sourced from PubChem (CID 91044132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).