1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C14H20F2N2O2S — CID 79612441

IUPAC1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-21(19,20)18-6-2-3-10(9-18)7-14(17)12-8-11(15)4-5-13(12)16/h4-5,8,10,14H,2-3,6-7,9,17H2,1H3
InChIKeyQNWFMRSSOYNYGW-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.03
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 79612441) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID79612441
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-21(19,20)18-6-2-3-10(9-18)7-14(17)12-8-11(15)4-5-13(12)16/h4-5,8,10,14H,2-3,6-7,9,17H2,1H3
InChIKeyQNWFMRSSOYNYGW-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
1-(3-chloro-4-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612155
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011134
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166956
1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011071
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
1-(5-bromofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011114
2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79620266
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
3-[3-chloro-2-(3-fluorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620402

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 79612441) is 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CS(=O)(=O)N1CCCC(CC(N)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is QNWFMRSSOYNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-21(19,20)18-6-2-3-10(9-18)7-14(17)12-8-11(15)4-5-13(12)16/h4-5,8,10,14H,2-3,6-7,9,17H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 318.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 79612441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).