(E)-N-methyl-3-methylsulfonylprop-2-en-1-amine

C5H11NO2S — CID 149363350

IUPAC(E)-N-methyl-3-methylsulfonylprop-2-en-1-amine
SMILESCNC/C=C/S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-4-3-5-9(2,7)8/h3,5-6H,4H2,1-2H3/b5-3+
InChIKeyYIIMSUMPUHDFKQ-HWKANZROSA-N
MW149.21 g/mol
LogP-0.24
Rot. Bonds3

About (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine

(E)-N-methyl-3-methylsulfonylprop-2-en-1-amine (PubChem CID 149363350) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-3-methylsulfonylprop-2-en-1-amine
PubChem CID149363350
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(E)-N-methyl-3-methylsulfonylprop-2-en-1-amine
SMILESCNC/C=C/S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-4-3-5-9(2,7)8/h3,5-6H,4H2,1-2H3/b5-3+
InChIKeyYIIMSUMPUHDFKQ-HWKANZROSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine (CID 149363350) is (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine is CNC/C=C/S(C)(=O)=O.
What is the InChIKey of (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine?
The InChIKey is YIIMSUMPUHDFKQ-HWKANZROSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-4-3-5-9(2,7)8/h3,5-6H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine?
(E)-N-methyl-3-methylsulfonylprop-2-en-1-amine has a molecular weight of 149.21 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-methylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 149363350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).