2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid

C8H13NO3S — CID 68726523

IUPAC2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid
SMILESCN(C1CC2C=CC1C2)S(=O)(=O)O
InChIInChI=1S/C8H13NO3S/c1-9(13(10,11)12)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3,(H,10,11,12)
InChIKeyMZZJZCCRVPQLSG-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.69
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid

2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid (PubChem CID 68726523) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid
PubChem CID68726523
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid
SMILESCN(C1CC2C=CC1C2)S(=O)(=O)O
InChIInChI=1S/C8H13NO3S/c1-9(13(10,11)12)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3,(H,10,11,12)
InChIKeyMZZJZCCRVPQLSG-UHFFFAOYSA-N
XLogP0.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid (CID 68726523) is 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid is CN(C1CC2C=CC1C2)S(=O)(=O)O.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid?
The InChIKey is MZZJZCCRVPQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-9(13(10,11)12)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3,(H,10,11,12).
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid?
2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid has a molecular weight of 203.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid is sourced from PubChem (CID 68726523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).