N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide

C7H13F3N2O2S — CID 92974044

IUPACN-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESN[C@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h5-6,12H,1-4,11H2/t5-,6+/m0/s1
InChIKeyGZWHPKPKHTUWSS-NTSWFWBYSA-N
MW246.25 g/mol
LogP0.70
Rot. Bonds2

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

N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 92974044) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID92974044
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESN[C@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h5-6,12H,1-4,11H2/t5-,6+/m0/s1
InChIKeyGZWHPKPKHTUWSS-NTSWFWBYSA-N
XLogP0.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-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 N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide (CID 92974044) is N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide is N[C@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GZWHPKPKHTUWSS-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h5-6,12H,1-4,11H2/t5-,6+/m0/s1.
What are the key properties of N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 92974044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).