N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide

C11H20N2O2S — CID 3598178

IUPACN-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H20N2O2S/c1-16(14,15)13-5-4-12-8-11-7-9-2-3-10(11)6-9/h2-3,9-13H,4-8H2,1H3
InChIKeyITKTXRMYUYBLPH-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.34
Rot. Bonds6

About N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide

N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide (PubChem CID 3598178) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
PubChem CID3598178
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H20N2O2S/c1-16(14,15)13-5-4-12-8-11-7-9-2-3-10(11)6-9/h2-3,9-13H,4-8H2,1H3
InChIKeyITKTXRMYUYBLPH-UHFFFAOYSA-N
XLogP0.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide (CID 3598178) is N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC1CC2C=CC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide?
The InChIKey is ITKTXRMYUYBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-16(14,15)13-5-4-12-8-11-7-9-2-3-10(11)6-9/h2-3,9-13H,4-8H2,1H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide?
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide has a molecular weight of 244.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 3598178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).