[(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid

C8H13NO3S — CID 68728705

IUPAC[(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid
SMILESCN(C1C[C@H]2C=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)/t6-,7?,8?/m0/s1
InChIKeyMZZJZCCRVPQLSG-KKMMWDRVSA-N
MW203.26 g/mol
LogP0.69
Rot. Bonds2

About [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid

[(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid (PubChem CID 68728705) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid.

Molecular Properties

Compound Name[(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid
PubChem CID68728705
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name[(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid
SMILESCN(C1C[C@H]2C=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)/t6-,7?,8?/m0/s1
InChIKeyMZZJZCCRVPQLSG-KKMMWDRVSA-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 [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid?
The IUPAC name of [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid (CID 68728705) is [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid.
What is the SMILES notation for [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid?
The canonical SMILES for [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid is CN(C1C[C@H]2C=CC1C2)S(=O)(=O)O.
What is the InChIKey of [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid?
The InChIKey is MZZJZCCRVPQLSG-KKMMWDRVSA-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)/t6-,7?,8?/m0/s1.
What are the key properties of [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid?
[(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic 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 [(4S)-2-bicyclo[2.2.1]hept-5-enyl]-methylsulfamic acid is sourced from PubChem (CID 68728705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).