(Z)-N-methyl-2-methylsulfonylethenamine

C4H9NO2S — CID 59786697

IUPAC(Z)-N-methyl-2-methylsulfonylethenamine
SMILESCN/C=C\S(C)(=O)=O
InChIInChI=1S/C4H9NO2S/c1-5-3-4-8(2,6)7/h3-5H,1-2H3/b4-3-
InChIKeyYCRLWQUSHCORIC-ARJAWSKDSA-N
MW135.19 g/mol
LogP-0.28
Rot. Bonds2

About (Z)-N-methyl-2-methylsulfonylethenamine

(Z)-N-methyl-2-methylsulfonylethenamine (PubChem CID 59786697) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (Z)-N-methyl-2-methylsulfonylethenamine.

Molecular Properties

Compound Name(Z)-N-methyl-2-methylsulfonylethenamine
PubChem CID59786697
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(Z)-N-methyl-2-methylsulfonylethenamine
SMILESCN/C=C\S(C)(=O)=O
InChIInChI=1S/C4H9NO2S/c1-5-3-4-8(2,6)7/h3-5H,1-2H3/b4-3-
InChIKeyYCRLWQUSHCORIC-ARJAWSKDSA-N
XLogP-0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-N-methyl-2-methylsulfonylethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-methylsulfonylethenamine?
The IUPAC name of (Z)-N-methyl-2-methylsulfonylethenamine (CID 59786697) is (Z)-N-methyl-2-methylsulfonylethenamine.
What is the SMILES notation for (Z)-N-methyl-2-methylsulfonylethenamine?
The canonical SMILES for (Z)-N-methyl-2-methylsulfonylethenamine is CN/C=C\S(C)(=O)=O.
What is the InChIKey of (Z)-N-methyl-2-methylsulfonylethenamine?
The InChIKey is YCRLWQUSHCORIC-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-5-3-4-8(2,6)7/h3-5H,1-2H3/b4-3-.
What are the key properties of (Z)-N-methyl-2-methylsulfonylethenamine?
(Z)-N-methyl-2-methylsulfonylethenamine has a molecular weight of 135.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-methylsulfonylethenamine is sourced from PubChem (CID 59786697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).