N-ethyl-7-ethylsulfonylhept-3-en-1-amine

C11H23NO2S — CID 79590821

IUPACN-ethyl-7-ethylsulfonylhept-3-en-1-amine
SMILESCCNCCC=CCCCS(=O)(=O)CC
InChIInChI=1S/C11H23NO2S/c1-3-12-10-8-6-5-7-9-11-15(13,14)4-2/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyXYKDRICQFRHNGF-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.76
Rot. Bonds9

About N-ethyl-7-ethylsulfonylhept-3-en-1-amine

N-ethyl-7-ethylsulfonylhept-3-en-1-amine (PubChem CID 79590821) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-ethyl-7-ethylsulfonylhept-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-7-ethylsulfonylhept-3-en-1-amine
PubChem CID79590821
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-ethyl-7-ethylsulfonylhept-3-en-1-amine
SMILESCCNCCC=CCCCS(=O)(=O)CC
InChIInChI=1S/C11H23NO2S/c1-3-12-10-8-6-5-7-9-11-15(13,14)4-2/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyXYKDRICQFRHNGF-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-7-ethylsulfonylhept-3-en-1-amine?
The IUPAC name of N-ethyl-7-ethylsulfonylhept-3-en-1-amine (CID 79590821) is N-ethyl-7-ethylsulfonylhept-3-en-1-amine.
What is the SMILES notation for N-ethyl-7-ethylsulfonylhept-3-en-1-amine?
The canonical SMILES for N-ethyl-7-ethylsulfonylhept-3-en-1-amine is CCNCCC=CCCCS(=O)(=O)CC.
What is the InChIKey of N-ethyl-7-ethylsulfonylhept-3-en-1-amine?
The InChIKey is XYKDRICQFRHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-12-10-8-6-5-7-9-11-15(13,14)4-2/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of N-ethyl-7-ethylsulfonylhept-3-en-1-amine?
N-ethyl-7-ethylsulfonylhept-3-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-ethylsulfonylhept-3-en-1-amine is sourced from PubChem (CID 79590821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).