N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide

C11H19NO2S — CID 70802211

IUPACN-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCC1CC2C=CC1C2
InChIInChI=1S/C11H19NO2S/c1-15(13,14)12-6-2-3-10-7-9-4-5-11(10)8-9/h4-5,9-12H,2-3,6-8H2,1H3
InChIKeyNXPBWNZACZDFAO-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.53
Rot. Bonds5

About N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide

N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide (PubChem CID 70802211) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide
PubChem CID70802211
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCC1CC2C=CC1C2
InChIInChI=1S/C11H19NO2S/c1-15(13,14)12-6-2-3-10-7-9-4-5-11(10)8-9/h4-5,9-12H,2-3,6-8H2,1H3
InChIKeyNXPBWNZACZDFAO-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide (CID 70802211) is N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide is CS(=O)(=O)NCCCC1CC2C=CC1C2.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide?
The InChIKey is NXPBWNZACZDFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-15(13,14)12-6-2-3-10-7-9-4-5-11(10)8-9/h4-5,9-12H,2-3,6-8H2,1H3.
What are the key properties of N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide?
N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]methanesulfonamide has a molecular weight of 229.34 g/mol, XLogP of 1.53, 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]methanesulfonamide is sourced from PubChem (CID 70802211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).