5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline

C13H19FN2O2S — CID 55216866

IUPAC5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCS(=O)CC2)c(N)cc1F
InChIInChI=1S/C13H19FN2O2S/c1-9(2)18-13-8-12(11(15)7-10(13)14)16-3-5-19(17)6-4-16/h7-9H,3-6,15H2,1-2H3
InChIKeyOQSRNKJBLZYFTN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.76
Rot. Bonds3

About 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline

5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline (PubChem CID 55216866) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline
PubChem CID55216866
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCS(=O)CC2)c(N)cc1F
InChIInChI=1S/C13H19FN2O2S/c1-9(2)18-13-8-12(11(15)7-10(13)14)16-3-5-19(17)6-4-16/h7-9H,3-6,15H2,1-2H3
InChIKeyOQSRNKJBLZYFTN-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline?
The IUPAC name of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline (CID 55216866) is 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline.
What is the SMILES notation for 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline?
The canonical SMILES for 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCS(=O)CC2)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline?
The InChIKey is OQSRNKJBLZYFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9(2)18-13-8-12(11(15)7-10(13)14)16-3-5-19(17)6-4-16/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline?
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline has a molecular weight of 286.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 55216866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).