3-ethylsulfonylpyrrolidine;hydrochloride

C6H14ClNO2S — CID 72716323

IUPAC3-ethylsulfonylpyrrolidine;hydrochloride
SMILESCCS(=O)(=O)C1CCNC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-2-10(8,9)6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyBIBLCQUOZLXTFT-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.20
Rot. Bonds2

About 3-ethylsulfonylpyrrolidine;hydrochloride

3-ethylsulfonylpyrrolidine;hydrochloride (PubChem CID 72716323) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 3-ethylsulfonylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-ethylsulfonylpyrrolidine;hydrochloride
PubChem CID72716323
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name3-ethylsulfonylpyrrolidine;hydrochloride
SMILESCCS(=O)(=O)C1CCNC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-2-10(8,9)6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyBIBLCQUOZLXTFT-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethylsulfonylpyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonylpyrrolidine;hydrochloride?
The IUPAC name of 3-ethylsulfonylpyrrolidine;hydrochloride (CID 72716323) is 3-ethylsulfonylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-ethylsulfonylpyrrolidine;hydrochloride?
The canonical SMILES for 3-ethylsulfonylpyrrolidine;hydrochloride is CCS(=O)(=O)C1CCNC1.Cl.
What is the InChIKey of 3-ethylsulfonylpyrrolidine;hydrochloride?
The InChIKey is BIBLCQUOZLXTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-2-10(8,9)6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 3-ethylsulfonylpyrrolidine;hydrochloride?
3-ethylsulfonylpyrrolidine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylpyrrolidine;hydrochloride is sourced from PubChem (CID 72716323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).