1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate

C8H14FNO4S — CID 121329840

IUPAC1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CNS(=O)(=O)CF
InChIInChI=1S/C8H14FNO4S/c1-6(2)8(11)14-7(3)4-10-15(12,13)5-9/h7,10H,1,4-5H2,2-3H3
InChIKeyKPNOFFGZUIXQPP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.34
Rot. Bonds6

About 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate

1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate (PubChem CID 121329840) has the molecular formula C8H14FNO4S and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate
PubChem CID121329840
Molecular FormulaC8H14FNO4S
Molecular Weight239.27 g/mol
Exact Mass239.06
IUPAC Name1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CNS(=O)(=O)CF
InChIInChI=1S/C8H14FNO4S/c1-6(2)8(11)14-7(3)4-10-15(12,13)5-9/h7,10H,1,4-5H2,2-3H3
InChIKeyKPNOFFGZUIXQPP-UHFFFAOYSA-N
XLogP0.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-(2-methylprop-2-enoyloxy)propane-1-sulfonate
CID 122610801
trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
CID 174605040
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-methyl-5-(2-methylprop-2-enoyloxy)hexane-1-sulfonic acid
CID 174599714
fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate
CID 126575329
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
1-fluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
CID 150023778
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
1-[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propan-2-yl 2-methylprop-2-enoate
CID 87530538

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate (CID 121329840) is 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CNS(=O)(=O)CF.
What is the InChIKey of 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is KPNOFFGZUIXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4S/c1-6(2)8(11)14-7(3)4-10-15(12,13)5-9/h7,10H,1,4-5H2,2-3H3.
What are the key properties of 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate?
1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 239.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 121329840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).