3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine

C13H19FN2O2S — CID 62643618

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESNC(CCN1CCS(=O)(=O)CC1)c1ccccc1F
InChIInChI=1S/C13H19FN2O2S/c14-12-4-2-1-3-11(12)13(15)5-6-16-7-9-19(17,18)10-8-16/h1-4,13H,5-10,15H2
InChIKeyGAVMWSGFQNDMOF-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.95
Rot. Bonds4

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine

3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 62643618) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID62643618
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESNC(CCN1CCS(=O)(=O)CC1)c1ccccc1F
InChIInChI=1S/C13H19FN2O2S/c14-12-4-2-1-3-11(12)13(15)5-6-16-7-9-19(17,18)10-8-16/h1-4,13H,5-10,15H2
InChIKeyGAVMWSGFQNDMOF-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643340
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618231
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine (CID 62643618) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine is NC(CCN1CCS(=O)(=O)CC1)c1ccccc1F.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is GAVMWSGFQNDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-12-4-2-1-3-11(12)13(15)5-6-16-7-9-19(17,18)10-8-16/h1-4,13H,5-10,15H2.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 286.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62643618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).