2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide

C10H18N2O2S — CID 43777329

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CC2C=CC1C2
InChIInChI=1S/C10H18N2O2S/c11-15(13,14)4-3-12-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,12H,3-7H2,(H2,11,13,14)
InChIKeyJXABHKWVBPGXBK-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.08
Rot. Bonds5

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

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide (PubChem CID 43777329) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide
PubChem CID43777329
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CC2C=CC1C2
InChIInChI=1S/C10H18N2O2S/c11-15(13,14)4-3-12-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,12H,3-7H2,(H2,11,13,14)
InChIKeyJXABHKWVBPGXBK-UHFFFAOYSA-N
XLogP0.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.08
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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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75377988
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 98220489
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 98220490
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
3-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl-dimethylazaniumyl]propane-1-sulfonate
CID 140784076
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(propylsulfonylmethyl)methanamine
CID 154531002
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide (CID 43777329) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide is NS(=O)(=O)CCNCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide?
The InChIKey is JXABHKWVBPGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c11-15(13,14)4-3-12-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,12H,3-7H2,(H2,11,13,14).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide?
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide has a molecular weight of 230.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide is sourced from PubChem (CID 43777329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).