4-ethylsulfonylpiperidine;hydrochloride

C7H16ClNO2S — CID 67529535

IUPAC4-ethylsulfonylpiperidine;hydrochloride
SMILESCCS(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-2-11(9,10)7-3-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
InChIKeyOCYDVXYNADQRRK-UHFFFAOYSA-N
MW213.73 g/mol
LogP0.59
Rot. Bonds2

About 4-ethylsulfonylpiperidine;hydrochloride

4-ethylsulfonylpiperidine;hydrochloride (PubChem CID 67529535) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 4-ethylsulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-ethylsulfonylpiperidine;hydrochloride
PubChem CID67529535
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name4-ethylsulfonylpiperidine;hydrochloride
SMILESCCS(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-2-11(9,10)7-3-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
InChIKeyOCYDVXYNADQRRK-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylpiperidine;hydrochloride?
The IUPAC name of 4-ethylsulfonylpiperidine;hydrochloride (CID 67529535) is 4-ethylsulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-ethylsulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-ethylsulfonylpiperidine;hydrochloride is CCS(=O)(=O)C1CCNCC1.Cl.
What is the InChIKey of 4-ethylsulfonylpiperidine;hydrochloride?
The InChIKey is OCYDVXYNADQRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.ClH/c1-2-11(9,10)7-3-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 4-ethylsulfonylpiperidine;hydrochloride?
4-ethylsulfonylpiperidine;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylpiperidine;hydrochloride is sourced from PubChem (CID 67529535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).