2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine

C14H20FNO2S — CID 107914272

IUPAC2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine
SMILESCN1CCCCC1CCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-16-10-5-4-6-12(16)9-11-19(17,18)14-8-3-2-7-13(14)15/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyDMAJJIXUUNQLBF-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.47
Rot. Bonds4

About 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine

2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine (PubChem CID 107914272) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine
PubChem CID107914272
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine
SMILESCN1CCCCC1CCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-16-10-5-4-6-12(16)9-11-19(17,18)14-8-3-2-7-13(14)15/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyDMAJJIXUUNQLBF-UHFFFAOYSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine (CID 107914272) is 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine is CN1CCCCC1CCS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
The InChIKey is DMAJJIXUUNQLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-16-10-5-4-6-12(16)9-11-19(17,18)14-8-3-2-7-13(14)15/h2-3,7-8,12H,4-6,9-11H2,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine has a molecular weight of 285.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine is sourced from PubChem (CID 107914272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).