(1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide

C5H10BF3NO2S- — CID 63702790

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
SMILESO=S1(=O)CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C5H10BF3NO2S/c7-6(8,9)5-10-1-3-13(11,12)4-2-10/h1-5H2/q-1
InChIKeyYLZJCXQNARNQHD-UHFFFAOYSA-N
MW216.01 g/mol
LogP0.10
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide

(1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide (PubChem CID 63702790) has the molecular formula C5H10BF3NO2S- and a molecular weight of 216.01 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
PubChem CID63702790
Molecular FormulaC5H10BF3NO2S-
Molecular Weight216.01 g/mol
Exact Mass216.05
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
SMILESO=S1(=O)CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C5H10BF3NO2S/c7-6(8,9)5-10-1-3-13(11,12)4-2-10/h1-5H2/q-1
InChIKeyYLZJCXQNARNQHD-UHFFFAOYSA-N
XLogP0.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.01
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiomorpholine, 4-methyl-, 1,1-dioxide
CID 91413
Potassium ((1,1-dioxo-1lambda6-thiomorpholin-4-yl)methyl)trifluoroboranuide
CID 63702789
4,4-Dimethyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 423310
(1,1-Dioxo-1,4-thiazinan-4-ium-4-yl)methyl-difluoroborane
CID 140833464
(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
CID 140833465
4-Fluoro-1,4-thiazinane 1,1-dioxide
CID 174877818
Trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 63702033
(3-Ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide
CID 66376974
Trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide
CID 66382857
Trifluoro-[[methyl(2-methylsulfonylethyl)amino]methyl]boranuide
CID 79858328
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

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide (CID 63702790) is (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide is O=S1(=O)CCN(C[B-](F)(F)F)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
The InChIKey is YLZJCXQNARNQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3NO2S/c7-6(8,9)5-10-1-3-13(11,12)4-2-10/h1-5H2/q-1.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
(1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide has a molecular weight of 216.01 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 63702790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).