2-(2-ethylsulfonylethyl)pyrrolidine

C8H17NO2S — CID 84663605

IUPAC2-(2-ethylsulfonylethyl)pyrrolidine
SMILESCCS(=O)(=O)CCC1CCCN1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-5-8-4-3-6-9-8/h8-9H,2-7H2,1H3
InChIKeyKMZIVWFEDHQZGZ-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds4

About 2-(2-ethylsulfonylethyl)pyrrolidine

2-(2-ethylsulfonylethyl)pyrrolidine (PubChem CID 84663605) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)pyrrolidine
PubChem CID84663605
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2-ethylsulfonylethyl)pyrrolidine
SMILESCCS(=O)(=O)CCC1CCCN1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-5-8-4-3-6-9-8/h8-9H,2-7H2,1H3
InChIKeyKMZIVWFEDHQZGZ-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
2-(2-tert-butylsulfonylethyl)pyrrolidine
CID 84685127
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine
CID 82182480
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N-cyclopropyl-N-ethyl-2-piperidin-2-ylethanesulfonamide
CID 54972623
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)pyrrolidine?
The IUPAC name of 2-(2-ethylsulfonylethyl)pyrrolidine (CID 84663605) is 2-(2-ethylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)pyrrolidine?
The canonical SMILES for 2-(2-ethylsulfonylethyl)pyrrolidine is CCS(=O)(=O)CCC1CCCN1.
What is the InChIKey of 2-(2-ethylsulfonylethyl)pyrrolidine?
The InChIKey is KMZIVWFEDHQZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-12(10,11)7-5-8-4-3-6-9-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(2-ethylsulfonylethyl)pyrrolidine?
2-(2-ethylsulfonylethyl)pyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 84663605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).