fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate

C6H10FNO6S2 — CID 126575329

IUPACfluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCS(=O)(=O)NS(=O)(=O)CF
InChIInChI=1S/C6H10FNO6S2/c1-5(2)6(9)14-4-16(12,13)8-15(10,11)3-7/h8H,1,3-4H2,2H3
InChIKeyONNPJZRFGNDPJQ-UHFFFAOYSA-N
MW275.28 g/mol
LogP-0.76
Rot. Bonds6

About fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate

fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate (PubChem CID 126575329) has the molecular formula C6H10FNO6S2 and a molecular weight of 275.28 g/mol. Its IUPAC name is fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namefluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate
PubChem CID126575329
Molecular FormulaC6H10FNO6S2
Molecular Weight275.28 g/mol
Exact Mass274.99
IUPAC Namefluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCS(=O)(=O)NS(=O)(=O)CF
InChIInChI=1S/C6H10FNO6S2/c1-5(2)6(9)14-4-16(12,13)8-15(10,11)3-7/h8H,1,3-4H2,2H3
InChIKeyONNPJZRFGNDPJQ-UHFFFAOYSA-N
XLogP-0.76
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.76
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

[4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate
CID 118011510
2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
CID 88911957
1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate
CID 121329840
3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
(1,1,2,2,2-pentafluoroethylsulfonylamino)methyl 2-methylprop-2-enoate
CID 88560044
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735

Frequently Asked Questions

What is the IUPAC name of fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate?
The IUPAC name of fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate (CID 126575329) is fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate?
The canonical SMILES for fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCS(=O)(=O)NS(=O)(=O)CF.
What is the InChIKey of fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate?
The InChIKey is ONNPJZRFGNDPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO6S2/c1-5(2)6(9)14-4-16(12,13)8-15(10,11)3-7/h8H,1,3-4H2,2H3.
What are the key properties of fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate?
fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate has a molecular weight of 275.28 g/mol, XLogP of -0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 126575329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).