2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide

C11H20N2O2S — CID 43777344

IUPAC2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)C1CC2C=CC1C2
InChIInChI=1S/C11H20N2O2S/c1-8(13-4-5-16(12,14)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,13H,4-7H2,1H3,(H2,12,14,15)
InChIKeySFXPCCCWPTVDMH-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.47
Rot. Bonds5

About 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide (PubChem CID 43777344) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide
PubChem CID43777344
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)C1CC2C=CC1C2
InChIInChI=1S/C11H20N2O2S/c1-8(13-4-5-16(12,14)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,13H,4-7H2,1H3,(H2,12,14,15)
InChIKeySFXPCCCWPTVDMH-UHFFFAOYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

n-(Bicyclo(2.2.1)hept-5-ene-2-ylmethyl)ethanesulfonamide
CID 18468853
N-(bicyclo(2.2.1)hept-5-ene-2-ylmethyl)propanesulfonamide
CID 18468854
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazin-1-ium
CID 2168308
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]propane-1-sulfonamide
CID 3303907
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylsulfonylpiperazin-1-ium
CID 4073183
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-4-propylsulfonylpiperazin-1-ium
CID 4078170
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]ethanesulfonamide
CID 4223114
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazin-1-ium
CID 6593196
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylsulfonylpiperazin-1-ium
CID 11859397
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylsulfonylpiperazin-1-ium
CID 11880120
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazin-1-ium
CID 11880122

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide (CID 43777344) is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)C1CC2C=CC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide?
The InChIKey is SFXPCCCWPTVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(13-4-5-16(12,14)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,13H,4-7H2,1H3,(H2,12,14,15).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide?
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide has a molecular weight of 244.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 43777344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).