(E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine

C8H15NO2S — CID 88936545

IUPAC(E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine
SMILESC=C(C)N(C)/C=C(\C)S(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-7(2)9(4)6-8(3)12(5,10)11/h6H,1H2,2-5H3/b8-6+
InChIKeyGKKLPBQAWZXMTJ-SOFGYWHQSA-N
MW189.28 g/mol
LogP1.36
Rot. Bonds3

About (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine

(E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine (PubChem CID 88936545) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine
PubChem CID88936545
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine
SMILESC=C(C)N(C)/C=C(\C)S(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-7(2)9(4)6-8(3)12(5,10)11/h6H,1H2,2-5H3/b8-6+
InChIKeyGKKLPBQAWZXMTJ-SOFGYWHQSA-N
XLogP1.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine?
The IUPAC name of (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine (CID 88936545) is (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine is C=C(C)N(C)/C=C(\C)S(C)(=O)=O.
What is the InChIKey of (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine?
The InChIKey is GKKLPBQAWZXMTJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(2)9(4)6-8(3)12(5,10)11/h6H,1H2,2-5H3/b8-6+.
What are the key properties of (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine?
(E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine has a molecular weight of 189.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine is sourced from PubChem (CID 88936545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).