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

C10H17NO2S — CID 70802209

IUPACN-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CC2C=CC1C2
InChIInChI=1S/C10H17NO2S/c1-14(12,13)11-5-4-10-7-8-2-3-9(10)6-8/h2-3,8-11H,4-7H2,1H3
InChIKeyFXJUXVDAKADPNK-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.14
Rot. Bonds4

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

N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide (PubChem CID 70802209) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide
PubChem CID70802209
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CC2C=CC1C2
InChIInChI=1S/C10H17NO2S/c1-14(12,13)11-5-4-10-7-8-2-3-9(10)6-8/h2-3,8-11H,4-7H2,1H3
InChIKeyFXJUXVDAKADPNK-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'}

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Related Compounds

N-[(Bicyclo[2.2.1]hepta-5-ene-2-yl)methyl]trifluoromethanesulfonamide
CID 15759318
N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide
CID 24897460
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 24897461
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 59169057
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 69224556
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide
CID 70948125
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfinamide
CID 89983720
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-fluoromethanesulfonamide
CID 89983747
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 15759319
N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 23726311
N-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-1,1,1-trifluoromethanesulfonamide
CID 24897462
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 99134593

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide (CID 70802209) is N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CC2C=CC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide?
The InChIKey is FXJUXVDAKADPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-14(12,13)11-5-4-10-7-8-2-3-9(10)6-8/h2-3,8-11H,4-7H2,1H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide?
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide 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-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide is sourced from PubChem (CID 70802209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).