2-cyclohex-3-en-1-ylsulfonylethanamine

C8H15NO2S — CID 58684735

IUPAC2-cyclohex-3-en-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)C1CC=CCC1
InChIInChI=1S/C8H15NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-2,8H,3-7,9H2
InChIKeyMUOWYBUBOSOZCT-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.47
Rot. Bonds3

About 2-cyclohex-3-en-1-ylsulfonylethanamine

2-cyclohex-3-en-1-ylsulfonylethanamine (PubChem CID 58684735) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylsulfonylethanamine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylsulfonylethanamine
PubChem CID58684735
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-cyclohex-3-en-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)C1CC=CCC1
InChIInChI=1S/C8H15NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-2,8H,3-7,9H2
InChIKeyMUOWYBUBOSOZCT-UHFFFAOYSA-N
XLogP0.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylsulfonylethanamine?
The IUPAC name of 2-cyclohex-3-en-1-ylsulfonylethanamine (CID 58684735) is 2-cyclohex-3-en-1-ylsulfonylethanamine.
What is the SMILES notation for 2-cyclohex-3-en-1-ylsulfonylethanamine?
The canonical SMILES for 2-cyclohex-3-en-1-ylsulfonylethanamine is NCCS(=O)(=O)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylsulfonylethanamine?
The InChIKey is MUOWYBUBOSOZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-2,8H,3-7,9H2.
What are the key properties of 2-cyclohex-3-en-1-ylsulfonylethanamine?
2-cyclohex-3-en-1-ylsulfonylethanamine has a molecular weight of 189.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylsulfonylethanamine is sourced from PubChem (CID 58684735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).