ethyl 5-(trifluoromethylsulfonylamino)pentanoate

C8H14F3NO4S — CID 11196671

IUPACethyl 5-(trifluoromethylsulfonylamino)pentanoate
SMILESCCOC(=O)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-2-16-7(13)5-3-4-6-12-17(14,15)8(9,10)11/h12H,2-6H2,1H3
InChIKeyZGKPNGSQPPSMGV-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.16
Rot. Bonds7

About ethyl 5-(trifluoromethylsulfonylamino)pentanoate

ethyl 5-(trifluoromethylsulfonylamino)pentanoate (PubChem CID 11196671) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is ethyl 5-(trifluoromethylsulfonylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(trifluoromethylsulfonylamino)pentanoate
PubChem CID11196671
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Nameethyl 5-(trifluoromethylsulfonylamino)pentanoate
SMILESCCOC(=O)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-2-16-7(13)5-3-4-6-12-17(14,15)8(9,10)11/h12H,2-6H2,1H3
InChIKeyZGKPNGSQPPSMGV-UHFFFAOYSA-N
XLogP1.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(trifluoromethylsulfonylamino)pentanoate?
The IUPAC name of ethyl 5-(trifluoromethylsulfonylamino)pentanoate (CID 11196671) is ethyl 5-(trifluoromethylsulfonylamino)pentanoate.
What is the SMILES notation for ethyl 5-(trifluoromethylsulfonylamino)pentanoate?
The canonical SMILES for ethyl 5-(trifluoromethylsulfonylamino)pentanoate is CCOC(=O)CCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl 5-(trifluoromethylsulfonylamino)pentanoate?
The InChIKey is ZGKPNGSQPPSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-2-16-7(13)5-3-4-6-12-17(14,15)8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of ethyl 5-(trifluoromethylsulfonylamino)pentanoate?
ethyl 5-(trifluoromethylsulfonylamino)pentanoate has a molecular weight of 277.26 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(trifluoromethylsulfonylamino)pentanoate is sourced from PubChem (CID 11196671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).