2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine

C15H22FNO2S — CID 71865866

IUPAC2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine
SMILESCC1CCN(CCCS(C)(=O)=O)C1c1cccc(F)c1
InChIInChI=1S/C15H22FNO2S/c1-12-7-9-17(8-4-10-20(2,18)19)15(12)13-5-3-6-14(16)11-13/h3,5-6,11-12,15H,4,7-10H2,1-2H3
InChIKeyBVNNASCLUFZTHB-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.64
Rot. Bonds5

About 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine

2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine (PubChem CID 71865866) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine
PubChem CID71865866
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine
SMILESCC1CCN(CCCS(C)(=O)=O)C1c1cccc(F)c1
InChIInChI=1S/C15H22FNO2S/c1-12-7-9-17(8-4-10-20(2,18)19)15(12)13-5-3-6-14(16)11-13/h3,5-6,11-12,15H,4,7-10H2,1-2H3
InChIKeyBVNNASCLUFZTHB-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine?
The IUPAC name of 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine (CID 71865866) is 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine?
The canonical SMILES for 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine is CC1CCN(CCCS(C)(=O)=O)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine?
The InChIKey is BVNNASCLUFZTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-12-7-9-17(8-4-10-20(2,18)19)15(12)13-5-3-6-14(16)11-13/h3,5-6,11-12,15H,4,7-10H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine?
2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine has a molecular weight of 299.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methyl-1-(3-methylsulfonylpropyl)pyrrolidine is sourced from PubChem (CID 71865866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).