4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine

C11H15NO2S — CID 87795872

IUPAC4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine
SMILESO=S(=O)=C1C=CC=C(C2CCNCC2)C1
InChIInChI=1S/C11H15NO2S/c13-15(14)11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,9,12H,4-8H2
InChIKeyMHWJKUNXGSDTBZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP0.92
Rot. Bonds1

About 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine

4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 87795872) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID87795872
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine
SMILESO=S(=O)=C1C=CC=C(C2CCNCC2)C1
InChIInChI=1S/C11H15NO2S/c13-15(14)11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,9,12H,4-8H2
InChIKeyMHWJKUNXGSDTBZ-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine (CID 87795872) is 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine is O=S(=O)=C1C=CC=C(C2CCNCC2)C1.
What is the InChIKey of 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is MHWJKUNXGSDTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-15(14)11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,9,12H,4-8H2.
What are the key properties of 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine?
4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 225.31 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-sulfonylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 87795872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).