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

C7H12BF3KNO2S — CID 106745745

IUPACpotassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCS(=O)(=O)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H12BF3NO2S.K/c1-7(8(9,10)11)6-12-2-4-15(13,14)5-3-12;/h1-6H2;/q-1;+1
InChIKeyGSLUOEFPHZBQLI-UHFFFAOYSA-N
MW281.15 g/mol
LogP-2.34
Rot. Bonds3

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

potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745745) has the molecular formula C7H12BF3KNO2S and a molecular weight of 281.15 g/mol. Its IUPAC name is potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745745
Molecular FormulaC7H12BF3KNO2S
Molecular Weight281.15 g/mol
Exact Mass281.03
IUPAC Namepotassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCS(=O)(=O)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H12BF3NO2S.K/c1-7(8(9,10)11)6-12-2-4-15(13,14)5-3-12;/h1-6H2;/q-1;+1
InChIKeyGSLUOEFPHZBQLI-UHFFFAOYSA-N
XLogP-2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106745745) is potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 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.[K+].
What is the InChIKey of potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is GSLUOEFPHZBQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BF3NO2S.K/c1-7(8(9,10)11)6-12-2-4-15(13,14)5-3-12;/h1-6H2;/q-1;+1.
What are the key properties of potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide?
potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 281.15 g/mol, XLogP of -2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).