N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide

C11H16F3NO2S — CID 24897460

IUPACN-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCCC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c12-11(13,14)18(16,17)15-5-1-2-9-6-8-3-4-10(9)7-8/h3-4,8-10,15H,1-2,5-7H2
InChIKeyNBBJCTGLLBJXCC-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.42
Rot. Bonds5

About N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide

N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 24897460) has the molecular formula C11H16F3NO2S and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID24897460
Molecular FormulaC11H16F3NO2S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC NameN-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCCC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c12-11(13,14)18(16,17)15-5-1-2-9-6-8-3-4-10(9)7-8/h3-4,8-10,15H,1-2,5-7H2
InChIKeyNBBJCTGLLBJXCC-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-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-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide (CID 24897460) is N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCCC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NBBJCTGLLBJXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2S/c12-11(13,14)18(16,17)15-5-1-2-9-6-8-3-4-10(9)7-8/h3-4,8-10,15H,1-2,5-7H2.
What are the key properties of N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide?
N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 283.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 24897460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).