trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide

C6H12BF3NO2S2- — CID 66382857

IUPACtrifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide
SMILESCS(=O)(=O)C1CSCCN1C[B-](F)(F)F
InChIInChI=1S/C6H12BF3NO2S2/c1-15(12,13)6-4-14-3-2-11(6)5-7(8,9)10/h6H,2-5H2,1H3/q-1
InChIKeySRFIRVZLIUEBDW-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.79
Rot. Bonds3

About trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide

trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide (PubChem CID 66382857) has the molecular formula C6H12BF3NO2S2- and a molecular weight of 262.11 g/mol. Its IUPAC name is trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide
PubChem CID66382857
Molecular FormulaC6H12BF3NO2S2-
Molecular Weight262.11 g/mol
Exact Mass262.04
IUPAC Nametrifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide
SMILESCS(=O)(=O)C1CSCCN1C[B-](F)(F)F
InChIInChI=1S/C6H12BF3NO2S2/c1-15(12,13)6-4-14-3-2-11(6)5-7(8,9)10/h6H,2-5H2,1H3/q-1
InChIKeySRFIRVZLIUEBDW-UHFFFAOYSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.79
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-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 102887224
Trifluoro-[3-(3-methylsulfonylthiomorpholin-4-yl)prop-1-en-2-yl]boranuide
CID 106746154
(2,6-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl-trifluoroboranuide
CID 133624578
3-(1,1-Dioxo-1,4-thiazinan-4-yl)propyl-trifluoroboranuide
CID 165762525
4-(Methylsulfanylmethyl)-1,4-thiazinane 1,1-dioxide
CID 147775285
4-(1-Methylsulfanylethyl)-1,4-thiazinane 1,1-dioxide
CID 152912483
4-(Methylsulfonylmethyl)thiomorpholine
CID 164124179
Potassium (3-ethylsulfonylthiomorpholin-4-yl)methyl-trifluoroboranuide
CID 66376973

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide (CID 66382857) is trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide is CS(=O)(=O)C1CSCCN1C[B-](F)(F)F.
What is the InChIKey of trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide?
The InChIKey is SRFIRVZLIUEBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BF3NO2S2/c1-15(12,13)6-4-14-3-2-11(6)5-7(8,9)10/h6H,2-5H2,1H3/q-1.
What are the key properties of trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide?
trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide has a molecular weight of 262.11 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3-methylsulfonylthiomorpholin-4-yl)methyl]boranuide is sourced from PubChem (CID 66382857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).