1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide

C6H11F3N2O2S — CID 87401213

IUPAC1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide
SMILESN[C@H]1CCC[C@@H]1C(F)(F)S(=O)(=O)NF
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,14(12,13)11-9)4-2-1-3-5(4)10/h4-5,11H,1-3,10H2/t4-,5-/m0/s1
InChIKeyFJJSDSGEQJNQMC-WHFBIAKZSA-N
MW232.23 g/mol
LogP0.51
Rot. Bonds3

About 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide

1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide (PubChem CID 87401213) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound Name1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide
PubChem CID87401213
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide
SMILESN[C@H]1CCC[C@@H]1C(F)(F)S(=O)(=O)NF
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,14(12,13)11-9)4-2-1-3-5(4)10/h4-5,11H,1-3,10H2/t4-,5-/m0/s1
InChIKeyFJJSDSGEQJNQMC-WHFBIAKZSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide?
The IUPAC name of 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide (CID 87401213) is 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide?
The canonical SMILES for 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide is N[C@H]1CCC[C@@H]1C(F)(F)S(=O)(=O)NF.
What is the InChIKey of 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide?
The InChIKey is FJJSDSGEQJNQMC-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,14(12,13)11-9)4-2-1-3-5(4)10/h4-5,11H,1-3,10H2/t4-,5-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide?
1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 87401213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).