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

C13H19FN2O2S — CID 55020486

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(c1cccc(F)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19FN2O2S/c1-10(15)13(11-3-2-4-12(14)9-11)16-5-7-19(17,18)8-6-16/h2-4,9-10,13H,5-8,15H2,1H3
InChIKeyQSKCWHQSCVFZAY-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.94
Rot. Bonds3

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

1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 55020486) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
PubChem CID55020486
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(c1cccc(F)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19FN2O2S/c1-10(15)13(11-3-2-4-12(14)9-11)16-5-7-19(17,18)8-6-16/h2-4,9-10,13H,5-8,15H2,1H3
InChIKeyQSKCWHQSCVFZAY-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

1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 62993250
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 63216311
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
[4-[2-amino-1-(3-fluorophenyl)propyl]morpholin-2-yl]methanol
CID 81205350
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470
1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55020193
2-(3-fluorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 102882695
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine (CID 55020486) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine is CC(N)C(c1cccc(F)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is QSKCWHQSCVFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10(15)13(11-3-2-4-12(14)9-11)16-5-7-19(17,18)8-6-16/h2-4,9-10,13H,5-8,15H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine 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 1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55020486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).