2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide

C7H15F3N2O2S — CID 115517877

IUPAC2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c8-7(9,10)3-1-2-5-12-15(13,14)6-4-11/h12H,1-6,11H2
InChIKeyCVOZBEZHZWGZNG-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.60
Rot. Bonds7

About 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide

2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide (PubChem CID 115517877) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide
PubChem CID115517877
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC Name2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c8-7(9,10)3-1-2-5-12-15(13,14)6-4-11/h12H,1-6,11H2
InChIKeyCVOZBEZHZWGZNG-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide (CID 115517877) is 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide is NCCS(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
The InChIKey is CVOZBEZHZWGZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c8-7(9,10)3-1-2-5-12-15(13,14)6-4-11/h12H,1-6,11H2.
What are the key properties of 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,5,5-trifluoropentyl)ethanesulfonamide is sourced from PubChem (CID 115517877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).