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

C14H21FN2O2S2 — CID 66383882

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)C1CSCCN1C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S2/c1-2-21(18,19)14-10-20-8-7-17(14)13(9-16)11-3-5-12(15)6-4-11/h3-6,13-14H,2,7-10,16H2,1H3
InChIKeyZFDNWLYADZXIFS-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.64
Rot. Bonds5

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

2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 66383882) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID66383882
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)C1CSCCN1C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S2/c1-2-21(18,19)14-10-20-8-7-17(14)13(9-16)11-3-5-12(15)6-4-11/h3-6,13-14H,2,7-10,16H2,1H3
InChIKeyZFDNWLYADZXIFS-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66382953
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822366
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 66383878
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 66383126
2-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylethanamine
CID 66381780
2-(3-chloro-4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 81148474
[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 66382144
2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66383925
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331
3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381953
methyl 3-amino-2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66381764
2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
CID 66383124

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine (CID 66383882) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine is CCS(=O)(=O)C1CSCCN1C(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is ZFDNWLYADZXIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-2-21(18,19)14-10-20-8-7-17(14)13(9-16)11-3-5-12(15)6-4-11/h3-6,13-14H,2,7-10,16H2,1H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 332.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 66383882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).