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

C6H11F3N2O2S — CID 67439421

IUPACN-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide
SMILESN[C@H]1CCC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-3-1-2-4(5)10/h4-5,11H,1-3,10H2/t4-,5-/m0/s1
InChIKeyWUIDGHJACZDPEN-WHFBIAKZSA-N
MW232.23 g/mol
LogP0.31
Rot. Bonds2

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

N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 67439421) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID67439421
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC NameN-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide
SMILESN[C@H]1CCC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-3-1-2-4(5)10/h4-5,11H,1-3,10H2/t4-,5-/m0/s1
InChIKeyWUIDGHJACZDPEN-WHFBIAKZSA-N
XLogP0.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide (CID 67439421) is N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide is N[C@H]1CCC[C@@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WUIDGHJACZDPEN-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-3-1-2-4(5)10/h4-5,11H,1-3,10H2/t4-,5-/m0/s1.
What are the key properties of N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 67439421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).