2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine

C13H19FN2O2S2 — CID 66382953

IUPAC2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S2/c1-20(17,18)13-9-19-7-6-16(13)12(8-15)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3
InChIKeyOEEYPKFDDWZKOW-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.25
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine

2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine (PubChem CID 66382953) has the molecular formula C13H19FN2O2S2 and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
PubChem CID66382953
Molecular FormulaC13H19FN2O2S2
Molecular Weight318.44 g/mol
Exact Mass318.09
IUPAC Name2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S2/c1-20(17,18)13-9-19-7-6-16(13)12(8-15)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3
InChIKeyOEEYPKFDDWZKOW-UHFFFAOYSA-N
XLogP1.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine (CID 66382953) is 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine is CS(=O)(=O)C1CSCCN1C(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The InChIKey is OEEYPKFDDWZKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S2/c1-20(17,18)13-9-19-7-6-16(13)12(8-15)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine has a molecular weight of 318.44 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 66382953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).