1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

C18H27FN2O2S — CID 53361070

IUPAC1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2[18F])CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-8-12-20(13-9-15)14-10-16-5-4-11-21(16)24(22,23)18-7-3-2-6-17(18)19/h2-3,6-7,15-16H,4-5,8-14H2,1H3/t16-/m1/s1/i19-1
InChIKeyMESXUKOOJXWYFP-ZREINDOBSA-N
MW353.49 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (PubChem CID 53361070) has the molecular formula C18H27FN2O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
PubChem CID53361070
Molecular FormulaC18H27FN2O2S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2[18F])CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-8-12-20(13-9-15)14-10-16-5-4-11-21(16)24(22,23)18-7-3-2-6-17(18)19/h2-3,6-7,15-16H,4-5,8-14H2,1H3/t16-/m1/s1/i19-1
InChIKeyMESXUKOOJXWYFP-ZREINDOBSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine 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-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (CID 53361070) is 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2[18F])CC1.
What is the InChIKey of 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The InChIKey is MESXUKOOJXWYFP-ZREINDOBSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-15-8-12-20(13-9-15)14-10-16-5-4-11-21(16)24(22,23)18-7-3-2-6-17(18)19/h2-3,6-7,15-16H,4-5,8-14H2,1H3/t16-/m1/s1/i19-1.
What are the key properties of 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine has a molecular weight of 353.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is sourced from PubChem (CID 53361070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).