1-(2-methylsulfonylethyl)pyrrolidine

C7H15NO2S — CID 24756178

IUPAC1-(2-methylsulfonylethyl)pyrrolidine
SMILESCS(=O)(=O)CCN1CCCC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7-6-8-4-2-3-5-8/h2-7H2,1H3
InChIKeyNGRXFQJESUUKOY-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.13
Rot. Bonds3

About 1-(2-methylsulfonylethyl)pyrrolidine

1-(2-methylsulfonylethyl)pyrrolidine (PubChem CID 24756178) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)pyrrolidine
PubChem CID24756178
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-(2-methylsulfonylethyl)pyrrolidine
SMILESCS(=O)(=O)CCN1CCCC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7-6-8-4-2-3-5-8/h2-7H2,1H3
InChIKeyNGRXFQJESUUKOY-UHFFFAOYSA-N
XLogP0.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)pyrrolidine?
The IUPAC name of 1-(2-methylsulfonylethyl)pyrrolidine (CID 24756178) is 1-(2-methylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)pyrrolidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)pyrrolidine is CS(=O)(=O)CCN1CCCC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)pyrrolidine?
The InChIKey is NGRXFQJESUUKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11(9,10)7-6-8-4-2-3-5-8/h2-7H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)pyrrolidine?
1-(2-methylsulfonylethyl)pyrrolidine has a molecular weight of 177.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 24756178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).