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

C8H14BF3KNO2S — CID 106746275

IUPACpotassium trifluoro-[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.[K+]
InChIInChI=1S/C8H14BF3NO2S.K/c1-7(9(10,11)12)5-13-3-4-16(14,15)6-8(13)2;/h8H,1,3-6H2,2H3;/q-1;+1
InChIKeyJQWOGSRPDMKKER-UHFFFAOYSA-N
MW295.18 g/mol
LogP-1.95
Rot. Bonds3

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

potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746275) has the molecular formula C8H14BF3KNO2S and a molecular weight of 295.18 g/mol. Its IUPAC name is potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
PubChem CID106746275
Molecular FormulaC8H14BF3KNO2S
Molecular Weight295.18 g/mol
Exact Mass295.04
IUPAC Namepotassium trifluoro-[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.[K+]
InChIInChI=1S/C8H14BF3NO2S.K/c1-7(9(10,11)12)5-13-3-4-16(14,15)6-8(13)2;/h8H,1,3-6H2,2H3;/q-1;+1
InChIKeyJQWOGSRPDMKKER-UHFFFAOYSA-N
XLogP-1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 5-1.95
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 trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide (CID 106746275) is potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium 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.[K+].
What is the InChIKey of potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The InChIKey is JQWOGSRPDMKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BF3NO2S.K/c1-7(9(10,11)12)5-13-3-4-16(14,15)6-8(13)2;/h8H,1,3-6H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide has a molecular weight of 295.18 g/mol, XLogP of -1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).