2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine

C12H23NO2S — CID 62324531

IUPAC2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)11-10-13-9-8-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3
InChIKeySFKOGDBRTKGJSV-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.90
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine

2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine (PubChem CID 62324531) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine
PubChem CID62324531
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)11-10-13-9-8-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3
InChIKeySFKOGDBRTKGJSV-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.90
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 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine (CID 62324531) is 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine is CCS(=O)(=O)CCNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine?
The InChIKey is SFKOGDBRTKGJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-16(14,15)11-10-13-9-8-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine has a molecular weight of 245.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-ethylsulfonylethyl)ethanamine is sourced from PubChem (CID 62324531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).