3-ethylsulfonylpyrrolidine

C6H13NO2S — CID 53403988

IUPAC3-ethylsulfonylpyrrolidine
SMILESCCS(=O)(=O)C1CCNC1
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyZANKHKIMFKGPQM-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds2

About 3-ethylsulfonylpyrrolidine

3-ethylsulfonylpyrrolidine (PubChem CID 53403988) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-ethylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-ethylsulfonylpyrrolidine
PubChem CID53403988
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-ethylsulfonylpyrrolidine
SMILESCCS(=O)(=O)C1CCNC1
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyZANKHKIMFKGPQM-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonylpyrrolidine?
The IUPAC name of 3-ethylsulfonylpyrrolidine (CID 53403988) is 3-ethylsulfonylpyrrolidine.
What is the SMILES notation for 3-ethylsulfonylpyrrolidine?
The canonical SMILES for 3-ethylsulfonylpyrrolidine is CCS(=O)(=O)C1CCNC1.
What is the InChIKey of 3-ethylsulfonylpyrrolidine?
The InChIKey is ZANKHKIMFKGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-4-7-5-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethylsulfonylpyrrolidine?
3-ethylsulfonylpyrrolidine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylpyrrolidine is sourced from PubChem (CID 53403988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).