potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide

C7H14BF3KNO2S2 — CID 66376973

IUPACpotassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide
SMILESCCS(=O)(=O)C1CSCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H14BF3NO2S2.K/c1-2-16(13,14)7-5-15-4-3-12(7)6-8(9,10)11;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyDSBRCBMDEZRUMB-UHFFFAOYSA-N
MW315.23 g/mol
LogP-1.81
Rot. Bonds4

About potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide

potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide (PubChem CID 66376973) has the molecular formula C7H14BF3KNO2S2 and a molecular weight of 315.23 g/mol. Its IUPAC name is potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide
PubChem CID66376973
Molecular FormulaC7H14BF3KNO2S2
Molecular Weight315.23 g/mol
Exact Mass315.01
IUPAC Namepotassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide
SMILESCCS(=O)(=O)C1CSCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H14BF3NO2S2.K/c1-2-16(13,14)7-5-15-4-3-12(7)6-8(9,10)11;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyDSBRCBMDEZRUMB-UHFFFAOYSA-N
XLogP-1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
(1,1-Dioxo-1,4-thiazinan-4-yl)methyl-difluoroborane
CID 140833465
(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
(2,6-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 133624578
Potassium trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide
CID 66382856
Potassium trifluoro-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 102887223
Potassium trifluoro-[3-(3-methylsulfonylthiomorpholin-4-yl)prop-1-en-2-yl]boranuide
CID 106746153
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 (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide (CID 66376973) is potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide is CCS(=O)(=O)C1CSCCN1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide?
The InChIKey is DSBRCBMDEZRUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO2S2.K/c1-2-16(13,14)7-5-15-4-3-12(7)6-8(9,10)11;/h7H,2-6H2,1H3;/q-1;+1.
What are the key properties of potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide?
potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide has a molecular weight of 315.23 g/mol, XLogP of -1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 66376973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).