N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

C10H14F3NO2S — CID 162599607

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(CC1CC2C=CC1C2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2S/c1-14(17(15,16)10(11,12)13)6-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-6H2,1H3
InChIKeyDXYFFEODFPIRNV-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.98
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 162599607) has the molecular formula C10H14F3NO2S and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID162599607
Molecular FormulaC10H14F3NO2S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(CC1CC2C=CC1C2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2S/c1-14(17(15,16)10(11,12)13)6-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-6H2,1H3
InChIKeyDXYFFEODFPIRNV-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide 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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 162599607) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(CC1CC2C=CC1C2)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is DXYFFEODFPIRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2S/c1-14(17(15,16)10(11,12)13)6-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-6H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 269.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 162599607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).