N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide

C9H16F3NO2S — CID 102080366

IUPACN-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H16F3NO2S/c1-7(8-5-3-2-4-6-8)13-16(14,15)9(10,11)12/h7-8,13H,2-6H2,1H3/t7-/m1/s1
InChIKeyREKGHUDZXOHNBA-SSDOTTSWSA-N
MW259.29 g/mol
LogP2.39
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide

N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 102080366) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID102080366
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H16F3NO2S/c1-7(8-5-3-2-4-6-8)13-16(14,15)9(10,11)12/h7-8,13H,2-6H2,1H3/t7-/m1/s1
InChIKeyREKGHUDZXOHNBA-SSDOTTSWSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide (CID 102080366) is N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide is C[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is REKGHUDZXOHNBA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-7(8-5-3-2-4-6-8)13-16(14,15)9(10,11)12/h7-8,13H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 102080366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).