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

C4H9NO2S — CID 15172420

IUPAC(E)-3-methylsulfonylprop-2-en-1-amine
SMILESCS(=O)(=O)/C=C/CN
InChIInChI=1S/C4H9NO2S/c1-8(6,7)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyZBUVYEASDWDBHG-DUXPYHPUSA-N
MW135.19 g/mol
LogP-0.50
Rot. Bonds2

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

(E)-3-methylsulfonylprop-2-en-1-amine (PubChem CID 15172420) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (E)-3-methylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methylsulfonylprop-2-en-1-amine
PubChem CID15172420
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(E)-3-methylsulfonylprop-2-en-1-amine
SMILESCS(=O)(=O)/C=C/CN
InChIInChI=1S/C4H9NO2S/c1-8(6,7)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyZBUVYEASDWDBHG-DUXPYHPUSA-N
XLogP-0.50
TPSA60.16 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 ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylsulfonylprop-2-en-1-amine?
The IUPAC name of (E)-3-methylsulfonylprop-2-en-1-amine (CID 15172420) is (E)-3-methylsulfonylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-methylsulfonylprop-2-en-1-amine?
The canonical SMILES for (E)-3-methylsulfonylprop-2-en-1-amine is CS(=O)(=O)/C=C/CN.
What is the InChIKey of (E)-3-methylsulfonylprop-2-en-1-amine?
The InChIKey is ZBUVYEASDWDBHG-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-8(6,7)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-3-methylsulfonylprop-2-en-1-amine?
(E)-3-methylsulfonylprop-2-en-1-amine has a molecular weight of 135.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 15172420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).