N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide

C10H17NO2S — CID 18468853

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC2C=CC1C2
InChIInChI=1S/C10H17NO2S/c1-2-14(12,13)11-7-10-6-8-3-4-9(10)5-8/h3-4,8-11H,2,5-7H2,1H3
InChIKeyZLHJYIHYCCEENH-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.14
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide (PubChem CID 18468853) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide
PubChem CID18468853
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC2C=CC1C2
InChIInChI=1S/C10H17NO2S/c1-2-14(12,13)11-7-10-6-8-3-4-9(10)5-8/h3-4,8-11H,2,5-7H2,1H3
InChIKeyZLHJYIHYCCEENH-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
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)ethanesulfonamide 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)ethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide (CID 18468853) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide is CCS(=O)(=O)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide?
The InChIKey is ZLHJYIHYCCEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-14(12,13)11-7-10-6-8-3-4-9(10)5-8/h3-4,8-11H,2,5-7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanesulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 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)ethanesulfonamide is sourced from PubChem (CID 18468853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).