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

C7H13F3N2O2S — CID 69343796

IUPACN-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESNC1CCCC[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-GDVGLLTNSA-N
MW246.25 g/mol
LogP0.70
Rot. Bonds2

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

N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 69343796) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID69343796
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESNC1CCCC[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-GDVGLLTNSA-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

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Related Compounds

(1R)-trans-N,N'-1,2-Cyclohexanediylbis(1,1,1-trifluoromethanesulfonamide)
CID 11090167
N-((1S,2S)-2-aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 9817239
(1S)-1alpha,2beta-Bis(trifluoromethylsulfonylamino)cyclohexane
CID 11025250
N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
N-((1R,2R)-2-Aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 69344011
N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 57747898
1,1,1-trifluoro-N-[(1S,2S)-2-isothiocyanatocyclohexyl]methanesulfonamide
CID 90849134
1,1,1-trifluoro-N-(2-isothiocyanatocyclohexyl)methanesulfonamide
CID 91338706
N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 92974044
Methanesulfonamide,N,N'-(1R,2R)-1,2-cyclohexanediylbis[1,1,1-trifluoro-
CID 4437229
N-(2-aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 9796336
1,1,1-trifluoro-N-[(1S,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide
CID 26974937

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide (CID 69343796) is N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide is NC1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GZWHPKPKHTUWSS-GDVGLLTNSA-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-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1S)-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-[(1S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 69343796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).