2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine

C11H23NO3S — CID 106724570

IUPAC2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine
SMILESC=C(C)COCCNCCS(=O)(=O)CCC
InChIInChI=1S/C11H23NO3S/c1-4-8-16(13,14)9-6-12-5-7-15-10-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyCPXKQFCBQHCHGJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.99
Rot. Bonds10

About 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine

2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine (PubChem CID 106724570) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine
PubChem CID106724570
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine
SMILESC=C(C)COCCNCCS(=O)(=O)CCC
InChIInChI=1S/C11H23NO3S/c1-4-8-16(13,14)9-6-12-5-7-15-10-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyCPXKQFCBQHCHGJ-UHFFFAOYSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine (CID 106724570) is 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine is C=C(C)COCCNCCS(=O)(=O)CCC.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine?
The InChIKey is CPXKQFCBQHCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-8-16(13,14)9-6-12-5-7-15-10-11(2)3/h12H,2,4-10H2,1,3H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine?
2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine has a molecular weight of 249.38 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine is sourced from PubChem (CID 106724570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).