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

C7H12BF3KNOS — CID 106745869

IUPACpotassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCS(=O)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H12BF3NOS.K/c1-7(8(9,10)11)6-12-2-4-14(13)5-3-12;/h1-6H2;/q-1;+1
InChIKeyDVXYIBKXVNVRFW-UHFFFAOYSA-N
MW265.15 g/mol
LogP-2.00
Rot. Bonds3

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

potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide (PubChem CID 106745869) has the molecular formula C7H12BF3KNOS and a molecular weight of 265.15 g/mol. Its IUPAC name is potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
PubChem CID106745869
Molecular FormulaC7H12BF3KNOS
Molecular Weight265.15 g/mol
Exact Mass265.03
IUPAC Namepotassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCS(=O)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H12BF3NOS.K/c1-7(8(9,10)11)6-12-2-4-14(13)5-3-12;/h1-6H2;/q-1;+1
InChIKeyDVXYIBKXVNVRFW-UHFFFAOYSA-N
XLogP-2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 5-2.00
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

Trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide
CID 56655986
3-(1,1-Dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745746
Trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide
CID 106745870
Potassium 3-(4-thiomorpholino)prop-1-ene-2-yltrifluoroborate
CID 56655985
Potassium trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 63702032
Potassium 3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745745

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide (CID 106745869) is potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCS(=O)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
The InChIKey is DVXYIBKXVNVRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BF3NOS.K/c1-7(8(9,10)11)6-12-2-4-14(13)5-3-12;/h1-6H2;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide has a molecular weight of 265.15 g/mol, XLogP of -2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(1-oxo-1,4-thiazinan-4-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).