N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide

C11H18F3NO2S — CID 22094263

IUPACN-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1C2CC(CNS(=O)(=O)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C11H18F3NO2S/c1-6-7(2)10-4-8(6)3-9(10)5-15-18(16,17)11(12,13)14/h6-10,15H,3-5H2,1-2H3
InChIKeyFKCUKLFJWZDAHW-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.35
Rot. Bonds3

About N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide

N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 22094263) has the molecular formula C11H18F3NO2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID22094263
Molecular FormulaC11H18F3NO2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC NameN-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1C2CC(CNS(=O)(=O)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C11H18F3NO2S/c1-6-7(2)10-4-8(6)3-9(10)5-15-18(16,17)11(12,13)14/h6-10,15H,3-5H2,1-2H3
InChIKeyFKCUKLFJWZDAHW-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide (CID 22094263) is N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide is CC1C2CC(CNS(=O)(=O)C(F)(F)F)C(C2)C1C.
What is the InChIKey of N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FKCUKLFJWZDAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2S/c1-6-7(2)10-4-8(6)3-9(10)5-15-18(16,17)11(12,13)14/h6-10,15H,3-5H2,1-2H3.
What are the key properties of N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide?
N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 285.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 22094263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).