3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide

C7H12BF3NO2S- — CID 106745746

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCS(=O)(=O)CC1)[B-](F)(F)F
InChIInChI=1S/C7H12BF3NO2S/c1-7(8(9,10)11)6-12-2-4-15(13,14)5-3-12/h1-6H2/q-1
InChIKeyOLHAKIAJXVSLNM-UHFFFAOYSA-N
MW242.05 g/mol
LogP0.66
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide

3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745746) has the molecular formula C7H12BF3NO2S- and a molecular weight of 242.05 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745746
Molecular FormulaC7H12BF3NO2S-
Molecular Weight242.05 g/mol
Exact Mass242.06
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCS(=O)(=O)CC1)[B-](F)(F)F
InChIInChI=1S/C7H12BF3NO2S/c1-7(8(9,10)11)6-12-2-4-15(13,14)5-3-12/h1-6H2/q-1
InChIKeyOLHAKIAJXVSLNM-UHFFFAOYSA-N
XLogP0.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide with MolForge

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

Launch Full Analysis

Related Compounds

(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
CID 140833465
4-Allyl-1lambda6,4-thiazinane-1,1-dione
CID 2735276
(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 63702790
Trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
CID 106745870
Trifluoro-[3-(3-methylsulfonylthiomorpholin-4-yl)prop-1-en-2-yl]boranuide
CID 106746154
3-(3-Ethylsulfonylthiomorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746156
Trifluoro-[3-[methyl(2-methylsulfonylethyl)amino]prop-1-en-2-yl]boranuide
CID 106746174
Trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
CID 106746276
(2,6-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 133624578
3-(1,1-Dioxo-1,4-thiazinan-4-yl)propyl-trifluoroboranuide
CID 165762525
Potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745745
Potassium trifluoro(3-(1-oxidothiomorpholino)prop-1-en-2-yl)borate
CID 106745869

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106745746) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCS(=O)(=O)CC1)[B-](F)(F)F.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is OLHAKIAJXVSLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BF3NO2S/c1-7(8(9,10)11)6-12-2-4-15(13,14)5-3-12/h1-6H2/q-1.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 242.05 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).