2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine

C13H17F3N2O2S — CID 43581265

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccccc1C(F)(F)F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-4-2-1-3-10(11)12(9-17)18-5-7-21(19,20)8-6-18/h1-4,12H,5-9,17H2
InChIKeyRZYDEBHIUQOMHI-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.44
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43581265) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID43581265
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccccc1C(F)(F)F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-4-2-1-3-10(11)12(9-17)18-5-7-21(19,20)8-6-18/h1-4,12H,5-9,17H2
InChIKeyRZYDEBHIUQOMHI-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 30116375
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
CID 43581361
2-(1,4-thiazepan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61419651
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 54775953
2-(2,4-dimethylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581276
2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-thiophen-2-ylethanamine
CID 114083369
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 54881939
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61429560
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
2-[4-(difluoromethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581264

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 43581265) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine is NCC(c1ccccc1C(F)(F)F)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is RZYDEBHIUQOMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)11-4-2-1-3-10(11)12(9-17)18-5-7-21(19,20)8-6-18/h1-4,12H,5-9,17H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 322.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43581265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).