2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate

C9H14F3NO4S — CID 67978683

IUPAC2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate
SMILESO=C(OCCNS(=O)(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)18(15,16)13-5-6-17-8(14)7-3-1-2-4-7/h7,13H,1-6H2
InChIKeyCEGYTRVSSRVXNT-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.16
Rot. Bonds5

About 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate

2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate (PubChem CID 67978683) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate
PubChem CID67978683
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate
SMILESO=C(OCCNS(=O)(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)18(15,16)13-5-6-17-8(14)7-3-1-2-4-7/h7,13H,1-6H2
InChIKeyCEGYTRVSSRVXNT-UHFFFAOYSA-N
XLogP1.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
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 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate?
The IUPAC name of 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate (CID 67978683) is 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate is O=C(OCCNS(=O)(=O)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate?
The InChIKey is CEGYTRVSSRVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)18(15,16)13-5-6-17-8(14)7-3-1-2-4-7/h7,13H,1-6H2.
What are the key properties of 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate?
2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate has a molecular weight of 289.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)ethyl cyclopentanecarboxylate is sourced from PubChem (CID 67978683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).