[2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate

C10H14F5NO4S — CID 87415315

IUPAC[2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO4S/c1-6(2)7(17)20-5-8(3,4)16-21(18,19)10(14,15)9(11,12)13/h16H,1,5H2,2-4H3
InChIKeyFDZFLXIWHVSYOG-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.96
Rot. Bonds6

About [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate

[2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate (PubChem CID 87415315) has the molecular formula C10H14F5NO4S and a molecular weight of 339.28 g/mol. Its IUPAC name is [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate
PubChem CID87415315
Molecular FormulaC10H14F5NO4S
Molecular Weight339.28 g/mol
Exact Mass339.06
IUPAC Name[2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO4S/c1-6(2)7(17)20-5-8(3,4)16-21(18,19)10(14,15)9(11,12)13/h16H,1,5H2,2-4H3
InChIKeyFDZFLXIWHVSYOG-UHFFFAOYSA-N
XLogP1.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,1,2,2,2-pentafluoroethylsulfonylamino)methyl 2-methylprop-2-enoate
CID 88560044
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
[3,3,4,4,5,6,6,6-octafluoro-2-hydroxy-2-methyl-5-(trifluoromethyl)hexyl] 2-methylprop-2-enoate
CID 87146200
2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
CID 88911957
2-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)amino]ethyl 2-methylprop-2-enoate
CID 87903552
3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)ethyl] 2-methylprop-2-enoate
CID 87579499
[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
CID 139637207
disodium;1,1-difluoro-2-hydroxyethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;2-methylprop-2-enoyl chloride
CID 158266596
1,1,2,2-tetrafluoro-4-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
CID 58079068

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate (CID 87415315) is [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate?
The InChIKey is FDZFLXIWHVSYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO4S/c1-6(2)7(17)20-5-8(3,4)16-21(18,19)10(14,15)9(11,12)13/h16H,1,5H2,2-4H3.
What are the key properties of [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate?
[2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate has a molecular weight of 339.28 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87415315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).