sodium;N-hydroxysulfamate;N-methylhydroxylamine

CH7N2NaO5S — CID 88840591

IUPACsodium;N-hydroxysulfamate;N-methylhydroxylamine
SMILESCNO.O=S(=O)([O-])NO.[Na+]
InChIInChI=1S/CH5NO.H3NO4S.Na/c1-2-3;2-1-6(3,4)5;/h2-3H,1H3;1-2H,(H,3,4,5);/q;;+1/p-1
InChIKeyZGPYLENARJPKMR-UHFFFAOYSA-M
MW182.13 g/mol
LogP-4.98
Rot. Bonds1

About sodium;N-hydroxysulfamate;N-methylhydroxylamine

sodium;N-hydroxysulfamate;N-methylhydroxylamine (PubChem CID 88840591) has the molecular formula CH7N2NaO5S and a molecular weight of 182.13 g/mol. Its IUPAC name is sodium;N-hydroxysulfamate;N-methylhydroxylamine.

Molecular Properties

Compound Namesodium;N-hydroxysulfamate;N-methylhydroxylamine
PubChem CID88840591
Molecular FormulaCH7N2NaO5S
Molecular Weight182.13 g/mol
Exact Mass182.00
IUPAC Namesodium;N-hydroxysulfamate;N-methylhydroxylamine
SMILESCNO.O=S(=O)([O-])NO.[Na+]
InChIInChI=1S/CH5NO.H3NO4S.Na/c1-2-3;2-1-6(3,4)5;/h2-3H,1H3;1-2H,(H,3,4,5);/q;;+1/p-1
InChIKeyZGPYLENARJPKMR-UHFFFAOYSA-M
XLogP-4.98
TPSA121.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-4.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;N-hydroxysulfamate;N-methylhydroxylamine?
The IUPAC name of sodium;N-hydroxysulfamate;N-methylhydroxylamine (CID 88840591) is sodium;N-hydroxysulfamate;N-methylhydroxylamine.
What is the SMILES notation for sodium;N-hydroxysulfamate;N-methylhydroxylamine?
The canonical SMILES for sodium;N-hydroxysulfamate;N-methylhydroxylamine is CNO.O=S(=O)([O-])NO.[Na+].
What is the InChIKey of sodium;N-hydroxysulfamate;N-methylhydroxylamine?
The InChIKey is ZGPYLENARJPKMR-UHFFFAOYSA-M. The full InChI is InChI=1S/CH5NO.H3NO4S.Na/c1-2-3;2-1-6(3,4)5;/h2-3H,1H3;1-2H,(H,3,4,5);/q;;+1/p-1.
What are the key properties of sodium;N-hydroxysulfamate;N-methylhydroxylamine?
sodium;N-hydroxysulfamate;N-methylhydroxylamine has a molecular weight of 182.13 g/mol, XLogP of -4.98, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-hydroxysulfamate;N-methylhydroxylamine is sourced from PubChem (CID 88840591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).