1-benzylsulfonylpyrrolidine

C11H15NO2S — CID 798772

IUPAC1-benzylsulfonylpyrrolidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C11H15NO2S/c13-15(14,12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyGGXXWZKFDBNAQR-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.61
Rot. Bonds3

About 1-benzylsulfonylpyrrolidine

1-benzylsulfonylpyrrolidine (PubChem CID 798772) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-benzylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-benzylsulfonylpyrrolidine
PubChem CID798772
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-benzylsulfonylpyrrolidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C11H15NO2S/c13-15(14,12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyGGXXWZKFDBNAQR-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonylpyrrolidine?
The IUPAC name of 1-benzylsulfonylpyrrolidine (CID 798772) is 1-benzylsulfonylpyrrolidine.
What is the SMILES notation for 1-benzylsulfonylpyrrolidine?
The canonical SMILES for 1-benzylsulfonylpyrrolidine is O=S(=O)(Cc1ccccc1)N1CCCC1.
What is the InChIKey of 1-benzylsulfonylpyrrolidine?
The InChIKey is GGXXWZKFDBNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-15(14,12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 1-benzylsulfonylpyrrolidine?
1-benzylsulfonylpyrrolidine has a molecular weight of 225.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonylpyrrolidine is sourced from PubChem (CID 798772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).