(Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine

C6H11NO2S — CID 134448928

IUPAC(Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine
SMILESC/N=C/C=C\CS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-7-5-3-4-6-10(2,8)9/h3-5H,6H2,1-2H3/b4-3-,7-5+
InChIKeyTZJJGMHHBZDEBT-QVXLNCAUSA-N
MW161.23 g/mol
LogP0.29
Rot. Bonds3

About (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine

(Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine (PubChem CID 134448928) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine
PubChem CID134448928
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine
SMILESC/N=C/C=C\CS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-7-5-3-4-6-10(2,8)9/h3-5H,6H2,1-2H3/b4-3-,7-5+
InChIKeyTZJJGMHHBZDEBT-QVXLNCAUSA-N
XLogP0.29
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.29
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 (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine (CID 134448928) is (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine is C/N=C/C=C\CS(C)(=O)=O.
What is the InChIKey of (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine?
The InChIKey is TZJJGMHHBZDEBT-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-7-5-3-4-6-10(2,8)9/h3-5H,6H2,1-2H3/b4-3-,7-5+.
What are the key properties of (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine?
(Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine has a molecular weight of 161.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-methylsulfonylbut-2-en-1-imine is sourced from PubChem (CID 134448928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).