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

C5H10BF2NO2S — CID 140833465

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
SMILESO=S1(=O)CCN(CB(F)F)CC1
InChIInChI=1S/C5H10BF2NO2S/c7-6(8)5-9-1-3-12(10,11)4-2-9/h1-5H2
InChIKeyFQYIITVWNYYQLM-UHFFFAOYSA-N
MW197.01 g/mol
LogP-0.32
Rot. Bonds2

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

(1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane (PubChem CID 140833465) has the molecular formula C5H10BF2NO2S and a molecular weight of 197.01 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
PubChem CID140833465
Molecular FormulaC5H10BF2NO2S
Molecular Weight197.01 g/mol
Exact Mass197.05
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
SMILESO=S1(=O)CCN(CB(F)F)CC1
InChIInChI=1S/C5H10BF2NO2S/c7-6(8)5-9-1-3-12(10,11)4-2-9/h1-5H2
InChIKeyFQYIITVWNYYQLM-UHFFFAOYSA-N
XLogP-0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.01
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane (CID 140833465) is (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane is O=S1(=O)CCN(CB(F)F)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane?
The InChIKey is FQYIITVWNYYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF2NO2S/c7-6(8)5-9-1-3-12(10,11)4-2-9/h1-5H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane?
(1,1-dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane has a molecular weight of 197.01 g/mol, XLogP of -0.32, 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-difluoroborane is sourced from PubChem (CID 140833465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).