2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

C13H19FN2O2S — CID 102882695

IUPAC2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESCC1CS(=O)(=O)CCN1C(CN)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-9-19(17,18)6-5-16(10)13(8-15)11-3-2-4-12(14)7-11/h2-4,7,10,13H,5-6,8-9,15H2,1H3
InChIKeyVLMXXVVRFPNRQV-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.94
Rot. Bonds3

About 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 102882695) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
PubChem CID102882695
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESCC1CS(=O)(=O)CCN1C(CN)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-10-9-19(17,18)6-5-16(10)13(8-15)11-3-2-4-12(14)7-11/h2-4,7,10,13H,5-6,8-9,15H2,1H3
InChIKeyVLMXXVVRFPNRQV-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanenitrile
CID 102883437
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
N'-hydroxy-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanimidamide
CID 102883736
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020486
[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
CID 102882858
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide
CID 83102016
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
CID 102886557

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (CID 102882695) is 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is CC1CS(=O)(=O)CCN1C(CN)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The InChIKey is VLMXXVVRFPNRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-9-19(17,18)6-5-16(10)13(8-15)11-3-2-4-12(14)7-11/h2-4,7,10,13H,5-6,8-9,15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 286.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is sourced from PubChem (CID 102882695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).