potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide

C5H10BF3KNOS — CID 63702032

IUPACpotassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
SMILESO=S1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C5H10BF3NOS.K/c7-6(8,9)5-10-1-3-12(11)4-2-10;/h1-5H2;/q-1;+1
InChIKeyWQNOKYXFZFPTJV-UHFFFAOYSA-N
MW239.11 g/mol
LogP-2.56
Rot. Bonds2

About potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide

potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide (PubChem CID 63702032) has the molecular formula C5H10BF3KNOS and a molecular weight of 239.11 g/mol. Its IUPAC name is potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
PubChem CID63702032
Molecular FormulaC5H10BF3KNOS
Molecular Weight239.11 g/mol
Exact Mass239.02
IUPAC Namepotassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
SMILESO=S1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C5H10BF3NOS.K/c7-6(8,9)5-10-1-3-12(11)4-2-10;/h1-5H2;/q-1;+1
InChIKeyWQNOKYXFZFPTJV-UHFFFAOYSA-N
XLogP-2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 5-2.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Potassium ((1,1-dioxo-1lambda6-thiomorpholin-4-yl)methyl)trifluoroboranuide
CID 63702789
Trifluoro(thiomorpholin-4-ylmethyl)boranuide
CID 45588178
(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
CID 140833465
Trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 63702033
(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 63702790
Difluoro(thiomorpholin-4-ylmethyl)borane
CID 66524806
3-(1,1-Dioxo-1,4-thiazinan-4-yl)propyl-trifluoroboranuide
CID 165762525
Potassium 4-trifluoroboratomethylthiomorpholine
CID 45588177
Potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride
CID 66524805
Potassium trifluoro(3-(1-oxidothiomorpholino)prop-1-en-2-yl)borate
CID 106745869
Potassium (2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 133624577
Potassium (3-(1,1-dioxidothiomorpholino)propyl)trifluoroborate
CID 165762524

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide (CID 63702032) is potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide is O=S1CCN(C[B-](F)(F)F)CC1.[K+].
What is the InChIKey of potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
The InChIKey is WQNOKYXFZFPTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3NOS.K/c7-6(8,9)5-10-1-3-12(11)4-2-10;/h1-5H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide has a molecular weight of 239.11 g/mol, XLogP of -2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide is sourced from PubChem (CID 63702032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).