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

C5H10BF3KNO2S — CID 63702789

IUPACpotassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
SMILESO=S1(=O)CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C5H10BF3NO2S.K/c7-6(8,9)5-10-1-3-13(11,12)4-2-10;/h1-5H2;/q-1;+1
InChIKeySHYNFXPSDLEWDJ-UHFFFAOYSA-N
MW255.11 g/mol
LogP-2.89
Rot. Bonds2

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

potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide (PubChem CID 63702789) has the molecular formula C5H10BF3KNO2S and a molecular weight of 255.11 g/mol. Its IUPAC name is potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
PubChem CID63702789
Molecular FormulaC5H10BF3KNO2S
Molecular Weight255.11 g/mol
Exact Mass255.01
IUPAC Namepotassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
SMILESO=S1(=O)CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C5H10BF3NO2S.K/c7-6(8,9)5-10-1-3-13(11,12)4-2-10;/h1-5H2;/q-1;+1
InChIKeySHYNFXPSDLEWDJ-UHFFFAOYSA-N
XLogP-2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 5-2.89
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

(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
Trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 63702033
(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 63702790
(3-Ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide
CID 66376974
Trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide
CID 66382857
Trifluoro-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 102887224
4-(2,2,2-Trifluoroethyl)thiomorpholine 1,1-dioxide
CID 122269592
4-(2-Fluoroethyl)-1lambda6-thiomorpholine-1,1-dione
CID 130718490
(2,6-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 133624578
4-(Trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 133662940
3-(1,1-Dioxo-1,4-thiazinan-4-yl)propyl-trifluoroboranuide
CID 165762525

Frequently Asked Questions

What is the IUPAC name of potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide (CID 63702789) is potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide is O=S1(=O)CCN(C[B-](F)(F)F)CC1.[K+].
What is the InChIKey of potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
The InChIKey is SHYNFXPSDLEWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3NO2S.K/c7-6(8,9)5-10-1-3-13(11,12)4-2-10;/h1-5H2;/q-1;+1.
What are the key properties of potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide?
potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide has a molecular weight of 255.11 g/mol, XLogP of -2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 63702789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).