4-prop-2-enylsulfonylpiperidine

C8H15NO2S — CID 82181327

IUPAC4-prop-2-enylsulfonylpiperidine
SMILESC=CCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H15NO2S/c1-2-7-12(10,11)8-3-5-9-6-4-8/h2,8-9H,1,3-7H2
InChIKeyYNPISBIIAYHOSR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.34
Rot. Bonds3

About 4-prop-2-enylsulfonylpiperidine

4-prop-2-enylsulfonylpiperidine (PubChem CID 82181327) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-prop-2-enylsulfonylpiperidine.

Molecular Properties

Compound Name4-prop-2-enylsulfonylpiperidine
PubChem CID82181327
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-prop-2-enylsulfonylpiperidine
SMILESC=CCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H15NO2S/c1-2-7-12(10,11)8-3-5-9-6-4-8/h2,8-9H,1,3-7H2
InChIKeyYNPISBIIAYHOSR-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 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 ≤ 50.34
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-prop-2-enylsulfonylpiperidine?
The IUPAC name of 4-prop-2-enylsulfonylpiperidine (CID 82181327) is 4-prop-2-enylsulfonylpiperidine.
What is the SMILES notation for 4-prop-2-enylsulfonylpiperidine?
The canonical SMILES for 4-prop-2-enylsulfonylpiperidine is C=CCS(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-prop-2-enylsulfonylpiperidine?
The InChIKey is YNPISBIIAYHOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-7-12(10,11)8-3-5-9-6-4-8/h2,8-9H,1,3-7H2.
What are the key properties of 4-prop-2-enylsulfonylpiperidine?
4-prop-2-enylsulfonylpiperidine has a molecular weight of 189.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylsulfonylpiperidine is sourced from PubChem (CID 82181327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).