sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene

C6H7N2NaO3S — CID 23702467

IUPACsodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESNNS(=O)(=O)[O-].[Na+].c1cc2ccc1-2
InChIInChI=1S/C6H4.H4N2O3S.Na/c1-2-6-4-3-5(1)6;1-2-6(3,4)5;/h1-4H;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyJONWZDVZZQURAH-UHFFFAOYSA-M
MW210.19 g/mol
LogP-3.42
Rot. Bonds1

About sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene

sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 23702467) has the molecular formula C6H7N2NaO3S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Namesodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID23702467
Molecular FormulaC6H7N2NaO3S
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Namesodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESNNS(=O)(=O)[O-].[Na+].c1cc2ccc1-2
InChIInChI=1S/C6H4.H4N2O3S.Na/c1-2-6-4-3-5(1)6;1-2-6(3,4)5;/h1-4H;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyJONWZDVZZQURAH-UHFFFAOYSA-M
XLogP-3.42
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-3.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 88527318
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CID 89487635
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CID 90404381
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CID 121317204
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CID 146295504
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CID 155059127
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CID 173352898
CID 173352898

Frequently Asked Questions

What is the IUPAC name of sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene (CID 23702467) is sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene is NNS(=O)(=O)[O-].[Na+].c1cc2ccc1-2.
What is the InChIKey of sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is JONWZDVZZQURAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4.H4N2O3S.Na/c1-2-6-4-3-5(1)6;1-2-6(3,4)5;/h1-4H;2H,1H2,(H,3,4,5);/q;;+1/p-1.
What are the key properties of sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene?
sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 210.19 g/mol, XLogP of -3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-aminosulfamate;bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 23702467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).