4-ethenyl-1-methylsulfonylpiperidine

C8H15NO2S — CID 91443565

IUPAC4-ethenyl-1-methylsulfonylpiperidine
SMILESC=CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H15NO2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h3,8H,1,4-7H2,2H3
InChIKeyFGIKQKPYCVEGHZ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.84
Rot. Bonds2

About 4-ethenyl-1-methylsulfonylpiperidine

4-ethenyl-1-methylsulfonylpiperidine (PubChem CID 91443565) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-ethenyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-ethenyl-1-methylsulfonylpiperidine
PubChem CID91443565
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-ethenyl-1-methylsulfonylpiperidine
SMILESC=CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H15NO2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h3,8H,1,4-7H2,2H3
InChIKeyFGIKQKPYCVEGHZ-UHFFFAOYSA-N
XLogP0.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenyl-1-methylsulfonylpiperidine?
The IUPAC name of 4-ethenyl-1-methylsulfonylpiperidine (CID 91443565) is 4-ethenyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-ethenyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4-ethenyl-1-methylsulfonylpiperidine is C=CC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-ethenyl-1-methylsulfonylpiperidine?
The InChIKey is FGIKQKPYCVEGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h3,8H,1,4-7H2,2H3.
What are the key properties of 4-ethenyl-1-methylsulfonylpiperidine?
4-ethenyl-1-methylsulfonylpiperidine has a molecular weight of 189.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 91443565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).