N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide

C9H16F3NO2S — CID 126625569

IUPACN-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-7-6-8-4-2-1-3-5-8/h8,13H,1-7H2
InChIKeyISQIYWRMDHQLEC-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.40
Rot. Bonds4

About N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide

N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 126625569) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID126625569
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-7-6-8-4-2-1-3-5-8/h8,13H,1-7H2
InChIKeyISQIYWRMDHQLEC-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide (CID 126625569) is N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ISQIYWRMDHQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-7-6-8-4-2-1-3-5-8/h8,13H,1-7H2.
What are the key properties of N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 126625569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).