(3Z)-3-(2-ethylsulfonylethylidene)piperidine

C9H17NO2S — CID 106735216

IUPAC(3Z)-3-(2-ethylsulfonylethylidene)piperidine
SMILESCCS(=O)(=O)C/C=C1/CCCNC1
InChIInChI=1S/C9H17NO2S/c1-2-13(11,12)7-5-9-4-3-6-10-8-9/h5,10H,2-4,6-8H2,1H3/b9-5-
InChIKeyYLNVCFKSIPKPHO-UITAMQMPSA-N
MW203.31 g/mol
LogP0.73
Rot. Bonds3

About (3Z)-3-(2-ethylsulfonylethylidene)piperidine

(3Z)-3-(2-ethylsulfonylethylidene)piperidine (PubChem CID 106735216) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (3Z)-3-(2-ethylsulfonylethylidene)piperidine.

Molecular Properties

Compound Name(3Z)-3-(2-ethylsulfonylethylidene)piperidine
PubChem CID106735216
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(3Z)-3-(2-ethylsulfonylethylidene)piperidine
SMILESCCS(=O)(=O)C/C=C1/CCCNC1
InChIInChI=1S/C9H17NO2S/c1-2-13(11,12)7-5-9-4-3-6-10-8-9/h5,10H,2-4,6-8H2,1H3/b9-5-
InChIKeyYLNVCFKSIPKPHO-UITAMQMPSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.73
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 (3Z)-3-(2-ethylsulfonylethylidene)piperidine?
The IUPAC name of (3Z)-3-(2-ethylsulfonylethylidene)piperidine (CID 106735216) is (3Z)-3-(2-ethylsulfonylethylidene)piperidine.
What is the SMILES notation for (3Z)-3-(2-ethylsulfonylethylidene)piperidine?
The canonical SMILES for (3Z)-3-(2-ethylsulfonylethylidene)piperidine is CCS(=O)(=O)C/C=C1/CCCNC1.
What is the InChIKey of (3Z)-3-(2-ethylsulfonylethylidene)piperidine?
The InChIKey is YLNVCFKSIPKPHO-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-13(11,12)7-5-9-4-3-6-10-8-9/h5,10H,2-4,6-8H2,1H3/b9-5-.
What are the key properties of (3Z)-3-(2-ethylsulfonylethylidene)piperidine?
(3Z)-3-(2-ethylsulfonylethylidene)piperidine has a molecular weight of 203.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-ethylsulfonylethylidene)piperidine is sourced from PubChem (CID 106735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).