3-methylsulfonylpyrrolidine

C5H11NO2S — CID 3419356

IUPAC3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCNC1
InChIInChI=1S/C5H11NO2S/c1-9(7,8)5-2-3-6-4-5/h5-6H,2-4H2,1H3
InChIKeyXCEGFNRUBBVHJT-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.61
Rot. Bonds1

About 3-methylsulfonylpyrrolidine

3-methylsulfonylpyrrolidine (PubChem CID 3419356) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-methylsulfonylpyrrolidine
PubChem CID3419356
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCNC1
InChIInChI=1S/C5H11NO2S/c1-9(7,8)5-2-3-6-4-5/h5-6H,2-4H2,1H3
InChIKeyXCEGFNRUBBVHJT-UHFFFAOYSA-N
XLogP-0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpyrrolidine?
The IUPAC name of 3-methylsulfonylpyrrolidine (CID 3419356) is 3-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-methylsulfonylpyrrolidine?
The canonical SMILES for 3-methylsulfonylpyrrolidine is CS(=O)(=O)C1CCNC1.
What is the InChIKey of 3-methylsulfonylpyrrolidine?
The InChIKey is XCEGFNRUBBVHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9(7,8)5-2-3-6-4-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-methylsulfonylpyrrolidine?
3-methylsulfonylpyrrolidine has a molecular weight of 149.21 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpyrrolidine is sourced from PubChem (CID 3419356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).