1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C15H24N2O2S — CID 106321793

IUPAC1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(C)(CNC)C1
InChIInChI=1S/C15H24N2O2S/c1-4-20(18,19)14-8-6-5-7-13(14)17-10-9-15(2,12-17)11-16-3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyCFDABFQRYVUMIP-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.92
Rot. Bonds5

About 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106321793) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106321793
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(C)(CNC)C1
InChIInChI=1S/C15H24N2O2S/c1-4-20(18,19)14-8-6-5-7-13(14)17-10-9-15(2,12-17)11-16-3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyCFDABFQRYVUMIP-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106321793) is 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CCS(=O)(=O)c1ccccc1N1CCC(C)(CNC)C1.
What is the InChIKey of 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is CFDABFQRYVUMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-20(18,19)14-8-6-5-7-13(14)17-10-9-15(2,12-17)11-16-3/h5-8,16H,4,9-12H2,1-3H3.
What are the key properties of 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106321793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).