2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate

C7H10F3NO6S2 — CID 88911957

IUPAC2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO6S2/c1-5(2)6(12)17-3-4-18(13,14)11-19(15,16)7(8,9)10/h11H,1,3-4H2,2H3
InChIKeyYEQOUWDOLROIDH-UHFFFAOYSA-N
MW325.29 g/mol
LogP-0.13
Rot. Bonds6

About 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate

2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate (PubChem CID 88911957) has the molecular formula C7H10F3NO6S2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
PubChem CID88911957
Molecular FormulaC7H10F3NO6S2
Molecular Weight325.29 g/mol
Exact Mass324.99
IUPAC Name2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO6S2/c1-5(2)6(12)17-3-4-18(13,14)11-19(15,16)7(8,9)10/h11H,1,3-4H2,2H3
InChIKeyYEQOUWDOLROIDH-UHFFFAOYSA-N
XLogP-0.13
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
[2,2-difluoro-2-(trifluoromethylsulfonylsulfamoyl)acetyl] 2-methylprop-2-enoate
CID 88582496
methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate
CID 54558665
(1,1,2,2,2-pentafluoroethylsulfonylamino)methyl 2-methylprop-2-enoate
CID 88560044
3-[3-(2-methylprop-2-enoyloxysulfonyl)propoxysulfonyl]propyl 2-methylprop-2-enoate
CID 174759874
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
CID 126489334
sodium 3-(2-methylprop-2-enoyloxy)propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 162420868
1,1,2,2-tetrafluoro-4-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
CID 58079068
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate (CID 88911957) is 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate?
The InChIKey is YEQOUWDOLROIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO6S2/c1-5(2)6(12)17-3-4-18(13,14)11-19(15,16)7(8,9)10/h11H,1,3-4H2,2H3.
What are the key properties of 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate?
2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate has a molecular weight of 325.29 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).