1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine

C12H17FN2O2S — CID 43581575

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H17FN2O2S/c1-9(14)12-10(13)3-2-4-11(12)15-5-7-18(16,17)8-6-15/h2-4,9H,5-8,14H2,1H3
InChIKeyFXABPMZENQRXGL-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.08
Rot. Bonds2

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine (PubChem CID 43581575) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
PubChem CID43581575
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H17FN2O2S/c1-9(14)12-10(13)3-2-4-11(12)15-5-7-18(16,17)8-6-15/h2-4,9H,5-8,14H2,1H3
InChIKeyFXABPMZENQRXGL-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62993795
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
1-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974495
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
(1S)-1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 78935058
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 114065973

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine (CID 43581575) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine?
The InChIKey is FXABPMZENQRXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9(14)12-10(13)3-2-4-11(12)15-5-7-18(16,17)8-6-15/h2-4,9H,5-8,14H2,1H3.
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine has a molecular weight of 272.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 43581575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).