3-ethyl-1-ethylsulfonylpyrrolidine

C8H17NO2S — CID 67582210

IUPAC3-ethyl-1-ethylsulfonylpyrrolidine
SMILESCCC1CCN(S(=O)(=O)CC)C1
InChIInChI=1S/C8H17NO2S/c1-3-8-5-6-9(7-8)12(10,11)4-2/h8H,3-7H2,1-2H3
InChIKeyCRCOLMUGJYJRNL-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds3

About 3-ethyl-1-ethylsulfonylpyrrolidine

3-ethyl-1-ethylsulfonylpyrrolidine (PubChem CID 67582210) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-ethyl-1-ethylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-1-ethylsulfonylpyrrolidine
PubChem CID67582210
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-ethyl-1-ethylsulfonylpyrrolidine
SMILESCCC1CCN(S(=O)(=O)CC)C1
InChIInChI=1S/C8H17NO2S/c1-3-8-5-6-9(7-8)12(10,11)4-2/h8H,3-7H2,1-2H3
InChIKeyCRCOLMUGJYJRNL-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-ethylsulfonylpyrrolidine 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-ethyl-1-ethylsulfonylpyrrolidine?
The IUPAC name of 3-ethyl-1-ethylsulfonylpyrrolidine (CID 67582210) is 3-ethyl-1-ethylsulfonylpyrrolidine.
What is the SMILES notation for 3-ethyl-1-ethylsulfonylpyrrolidine?
The canonical SMILES for 3-ethyl-1-ethylsulfonylpyrrolidine is CCC1CCN(S(=O)(=O)CC)C1.
What is the InChIKey of 3-ethyl-1-ethylsulfonylpyrrolidine?
The InChIKey is CRCOLMUGJYJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-8-5-6-9(7-8)12(10,11)4-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-ethylsulfonylpyrrolidine?
3-ethyl-1-ethylsulfonylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-ethylsulfonylpyrrolidine is sourced from PubChem (CID 67582210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).