3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine

C16H18N2O2S — CID 42922078

IUPAC3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,13-14-6-2-1-3-7-14)18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2
InChIKeyMWUAOWKPLXIHON-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.75
Rot. Bonds4

About 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine

3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine (PubChem CID 42922078) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
PubChem CID42922078
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,13-14-6-2-1-3-7-14)18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2
InChIKeyMWUAOWKPLXIHON-UHFFFAOYSA-N
XLogP2.75
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine?
The IUPAC name of 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine (CID 42922078) is 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine is O=S(=O)(Cc1ccccc1)N1CCCC1c1cccnc1.
What is the InChIKey of 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine?
The InChIKey is MWUAOWKPLXIHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-21(20,13-14-6-2-1-3-7-14)18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2.
What are the key properties of 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine?
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine has a molecular weight of 302.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 42922078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).