3-methylsulfonyl-3-phenylpyrrolidine

C11H15NO2S — CID 166000900

IUPAC3-methylsulfonyl-3-phenylpyrrolidine
SMILESCS(=O)(=O)C1(c2ccccc2)CCNC1
InChIInChI=1S/C11H15NO2S/c1-15(13,14)11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeySSIRGMOHLZXDQS-UHFFFAOYSA-N
MW225.31 g/mol
LogP0.92
Rot. Bonds2

About 3-methylsulfonyl-3-phenylpyrrolidine

3-methylsulfonyl-3-phenylpyrrolidine (PubChem CID 166000900) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-methylsulfonyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name3-methylsulfonyl-3-phenylpyrrolidine
PubChem CID166000900
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-methylsulfonyl-3-phenylpyrrolidine
SMILESCS(=O)(=O)C1(c2ccccc2)CCNC1
InChIInChI=1S/C11H15NO2S/c1-15(13,14)11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeySSIRGMOHLZXDQS-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-3-phenylpyrrolidine?
The IUPAC name of 3-methylsulfonyl-3-phenylpyrrolidine (CID 166000900) is 3-methylsulfonyl-3-phenylpyrrolidine.
What is the SMILES notation for 3-methylsulfonyl-3-phenylpyrrolidine?
The canonical SMILES for 3-methylsulfonyl-3-phenylpyrrolidine is CS(=O)(=O)C1(c2ccccc2)CCNC1.
What is the InChIKey of 3-methylsulfonyl-3-phenylpyrrolidine?
The InChIKey is SSIRGMOHLZXDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-15(13,14)11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of 3-methylsulfonyl-3-phenylpyrrolidine?
3-methylsulfonyl-3-phenylpyrrolidine has a molecular weight of 225.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-3-phenylpyrrolidine is sourced from PubChem (CID 166000900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).