4-(3-ethylsulfonylpropylidene)piperidine

C10H19NO2S — CID 79879134

IUPAC4-(3-ethylsulfonylpropylidene)piperidine
SMILESCCS(=O)(=O)CCC=C1CCNCC1
InChIInChI=1S/C10H19NO2S/c1-2-14(12,13)9-3-4-10-5-7-11-8-6-10/h4,11H,2-3,5-9H2,1H3
InChIKeyAWZUIOFESMAMOL-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.12
Rot. Bonds4

About 4-(3-ethylsulfonylpropylidene)piperidine

4-(3-ethylsulfonylpropylidene)piperidine (PubChem CID 79879134) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(3-ethylsulfonylpropylidene)piperidine.

Molecular Properties

Compound Name4-(3-ethylsulfonylpropylidene)piperidine
PubChem CID79879134
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-(3-ethylsulfonylpropylidene)piperidine
SMILESCCS(=O)(=O)CCC=C1CCNCC1
InChIInChI=1S/C10H19NO2S/c1-2-14(12,13)9-3-4-10-5-7-11-8-6-10/h4,11H,2-3,5-9H2,1H3
InChIKeyAWZUIOFESMAMOL-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.12
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 4-(3-ethylsulfonylpropylidene)piperidine?
The IUPAC name of 4-(3-ethylsulfonylpropylidene)piperidine (CID 79879134) is 4-(3-ethylsulfonylpropylidene)piperidine.
What is the SMILES notation for 4-(3-ethylsulfonylpropylidene)piperidine?
The canonical SMILES for 4-(3-ethylsulfonylpropylidene)piperidine is CCS(=O)(=O)CCC=C1CCNCC1.
What is the InChIKey of 4-(3-ethylsulfonylpropylidene)piperidine?
The InChIKey is AWZUIOFESMAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-14(12,13)9-3-4-10-5-7-11-8-6-10/h4,11H,2-3,5-9H2,1H3.
What are the key properties of 4-(3-ethylsulfonylpropylidene)piperidine?
4-(3-ethylsulfonylpropylidene)piperidine has a molecular weight of 217.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylpropylidene)piperidine is sourced from PubChem (CID 79879134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).