1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate

C7H10F3NO4S — CID 134465567

IUPAC1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c1-3-6(12)15-5(2)4-11-16(13,14)7(8,9)10/h3,5,11H,1,4H2,2H3
InChIKeyIGGUOGHNKGANQI-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.54
Rot. Bonds5

About 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate

1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate (PubChem CID 134465567) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate
PubChem CID134465567
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c1-3-6(12)15-5(2)4-11-16(13,14)7(8,9)10/h3,5,11H,1,4H2,2H3
InChIKeyIGGUOGHNKGANQI-UHFFFAOYSA-N
XLogP0.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.54
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

methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
CID 141187712
5-methylhexan-2-yl prop-2-enoate
CID 151222941
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966
3-methyl-4-(trifluoromethylsulfonylamino)butanoic acid
CID 81066675
1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 143697659
[3-methyl-4,4-bis(trifluoromethylsulfonyl)butan-2-yl] prop-2-enoate
CID 89253768
1-[2-(trifluoromethyl)oxiran-2-yl]propan-2-yl prop-2-enoate
CID 141274288

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate?
The IUPAC name of 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate (CID 134465567) is 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate?
The canonical SMILES for 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate is C=CC(=O)OC(C)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate?
The InChIKey is IGGUOGHNKGANQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c1-3-6(12)15-5(2)4-11-16(13,14)7(8,9)10/h3,5,11H,1,4H2,2H3.
What are the key properties of 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate?
1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate has a molecular weight of 261.22 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate is sourced from PubChem (CID 134465567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).