3-ethenyl-1-ethylsulfonylpiperidine

C9H17NO2S — CID 88972829

IUPAC3-ethenyl-1-ethylsulfonylpiperidine
SMILESC=CC1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C9H17NO2S/c1-3-9-6-5-7-10(8-9)13(11,12)4-2/h3,9H,1,4-8H2,2H3
InChIKeyPOCRZRBNWOWHOL-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.23
Rot. Bonds3

About 3-ethenyl-1-ethylsulfonylpiperidine

3-ethenyl-1-ethylsulfonylpiperidine (PubChem CID 88972829) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-ethenyl-1-ethylsulfonylpiperidine.

Molecular Properties

Compound Name3-ethenyl-1-ethylsulfonylpiperidine
PubChem CID88972829
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-ethenyl-1-ethylsulfonylpiperidine
SMILESC=CC1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C9H17NO2S/c1-3-9-6-5-7-10(8-9)13(11,12)4-2/h3,9H,1,4-8H2,2H3
InChIKeyPOCRZRBNWOWHOL-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.23
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 3-ethenyl-1-ethylsulfonylpiperidine?
The IUPAC name of 3-ethenyl-1-ethylsulfonylpiperidine (CID 88972829) is 3-ethenyl-1-ethylsulfonylpiperidine.
What is the SMILES notation for 3-ethenyl-1-ethylsulfonylpiperidine?
The canonical SMILES for 3-ethenyl-1-ethylsulfonylpiperidine is C=CC1CCCN(S(=O)(=O)CC)C1.
What is the InChIKey of 3-ethenyl-1-ethylsulfonylpiperidine?
The InChIKey is POCRZRBNWOWHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-9-6-5-7-10(8-9)13(11,12)4-2/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-ethenyl-1-ethylsulfonylpiperidine?
3-ethenyl-1-ethylsulfonylpiperidine has a molecular weight of 203.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-ethylsulfonylpiperidine is sourced from PubChem (CID 88972829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).