[(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid

C8H13NO3S — CID 91457829

IUPAC[(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid
SMILESCN(C12C=C[C@@H](CC1)C2)S(=O)(=O)O
InChIInChI=1S/C8H13NO3S/c1-9(13(10,11)12)8-4-2-7(6-8)3-5-8/h2,4,7H,3,5-6H2,1H3,(H,10,11,12)/t7-,8?/m0/s1
InChIKeyAPYSXQGCGQCNNX-JAMMHHFISA-N
MW203.26 g/mol
LogP0.83
Rot. Bonds2

About [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid

[(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid (PubChem CID 91457829) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid.

Molecular Properties

Compound Name[(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid
PubChem CID91457829
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name[(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid
SMILESCN(C12C=C[C@@H](CC1)C2)S(=O)(=O)O
InChIInChI=1S/C8H13NO3S/c1-9(13(10,11)12)8-4-2-7(6-8)3-5-8/h2,4,7H,3,5-6H2,1H3,(H,10,11,12)/t7-,8?/m0/s1
InChIKeyAPYSXQGCGQCNNX-JAMMHHFISA-N
XLogP0.83
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 ≤ 50.83
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 [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid?
The IUPAC name of [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid (CID 91457829) is [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid.
What is the SMILES notation for [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid?
The canonical SMILES for [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid is CN(C12C=C[C@@H](CC1)C2)S(=O)(=O)O.
What is the InChIKey of [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid?
The InChIKey is APYSXQGCGQCNNX-JAMMHHFISA-N. The full InChI is InChI=1S/C8H13NO3S/c1-9(13(10,11)12)8-4-2-7(6-8)3-5-8/h2,4,7H,3,5-6H2,1H3,(H,10,11,12)/t7-,8?/m0/s1.
What are the key properties of [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid?
[(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid has a molecular weight of 203.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1-bicyclo[2.2.1]hept-2-enyl]-methylsulfamic acid is sourced from PubChem (CID 91457829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).