trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide

C8H14BF3NO2S- — CID 106746276

IUPACtrifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCS(=O)(=O)CC1C)[B-](F)(F)F
InChIInChI=1S/C8H14BF3NO2S/c1-7(9(10,11)12)5-13-3-4-16(14,15)6-8(13)2/h8H,1,3-6H2,2H3/q-1
InChIKeyZWKSWDFPWQCIKV-UHFFFAOYSA-N
MW256.08 g/mol
LogP1.05
Rot. Bonds3

About trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746276) has the molecular formula C8H14BF3NO2S- and a molecular weight of 256.08 g/mol. Its IUPAC name is trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
PubChem CID106746276
Molecular FormulaC8H14BF3NO2S-
Molecular Weight256.08 g/mol
Exact Mass256.08
IUPAC Nametrifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCS(=O)(=O)CC1C)[B-](F)(F)F
InChIInChI=1S/C8H14BF3NO2S/c1-7(9(10,11)12)5-13-3-4-16(14,15)6-8(13)2/h8H,1,3-6H2,2H3/q-1
InChIKeyZWKSWDFPWQCIKV-UHFFFAOYSA-N
XLogP1.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide with MolForge

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Related Compounds

Trifluoro-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 102887224
3-(1,1-Dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745746
3-[(1,1-Dioxothiolan-3-yl)-methylamino]prop-1-en-2-yl-trifluoroboranuide
CID 106745764
Trifluoro-[3-(3-methylthiomorpholin-4-yl)prop-1-en-2-yl]boranuide
CID 106746100
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
Potassium trifluoro-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 102887223
Potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745745
Potassium 3-[(1,1-dioxothiolan-3-yl)-methylamino]prop-1-en-2-yl-trifluoroboranuide
CID 106745763
Potassium trifluoro-[3-(3-methylsulfonylthiomorpholin-4-yl)prop-1-en-2-yl]boranuide
CID 106746153
Potassium 3-(3-ethylsulfonylthiomorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746155
Potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
CID 106746275

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide (CID 106746276) is trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCS(=O)(=O)CC1C)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The InChIKey is ZWKSWDFPWQCIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BF3NO2S/c1-7(9(10,11)12)5-13-3-4-16(14,15)6-8(13)2/h8H,1,3-6H2,2H3/q-1.
What are the key properties of trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide has a molecular weight of 256.08 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).