(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine

C9H19NO2S — CID 129118273

IUPAC(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine
SMILESCCN(C)C/C=C/S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-5-10(4)7-6-8-13(11,12)9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+
InChIKeyXMLLRQCLPUAEGT-SOFGYWHQSA-N
MW205.32 g/mol
LogP1.27
Rot. Bonds5

About (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine

(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine (PubChem CID 129118273) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine
PubChem CID129118273
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine
SMILESCCN(C)C/C=C/S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-5-10(4)7-6-8-13(11,12)9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+
InChIKeyXMLLRQCLPUAEGT-SOFGYWHQSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine (CID 129118273) is (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine is CCN(C)C/C=C/S(=O)(=O)C(C)C.
What is the InChIKey of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
The InChIKey is XMLLRQCLPUAEGT-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-10(4)7-6-8-13(11,12)9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+.
What are the key properties of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine has a molecular weight of 205.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 129118273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).