1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C14H20ClFN2O2S — CID 105011071

IUPAC1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-21(19,20)18-7-3-4-10(9-18)8-13(17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyFMNJAUNCSKSJFC-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 105011071) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID105011071
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-21(19,20)18-7-3-4-10(9-18)8-13(17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyFMNJAUNCSKSJFC-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612155
1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612441
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011134
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166956
1-(5-bromofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011114
[1-(3-fluoro-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105257833
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619905
1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 82732453

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 105011071) is 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CS(=O)(=O)N1CCCC(CC(N)c2c(F)cccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is FMNJAUNCSKSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-21(19,20)18-7-3-4-10(9-18)8-13(17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 334.84 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 105011071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).