methylamino N-hydroxysulfamate

CH6N2O4S — CID 88840593

IUPACmethylamino N-hydroxysulfamate
SMILESCNOS(=O)(=O)NO
InChIInChI=1S/CH6N2O4S/c1-2-7-8(5,6)3-4/h2-4H,1H3
InChIKeyHFIJOVZBXDGTLK-UHFFFAOYSA-N
MW142.14 g/mol
LogP-1.64
Rot. Bonds3

About methylamino N-hydroxysulfamate

methylamino N-hydroxysulfamate (PubChem CID 88840593) has the molecular formula CH6N2O4S and a molecular weight of 142.14 g/mol. Its IUPAC name is methylamino N-hydroxysulfamate.

Molecular Properties

Compound Namemethylamino N-hydroxysulfamate
PubChem CID88840593
Molecular FormulaCH6N2O4S
Molecular Weight142.14 g/mol
Exact Mass142.00
IUPAC Namemethylamino N-hydroxysulfamate
SMILESCNOS(=O)(=O)NO
InChIInChI=1S/CH6N2O4S/c1-2-7-8(5,6)3-4/h2-4H,1H3
InChIKeyHFIJOVZBXDGTLK-UHFFFAOYSA-N
XLogP-1.64
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylamino N-hydroxysulfamate?
The IUPAC name of methylamino N-hydroxysulfamate (CID 88840593) is methylamino N-hydroxysulfamate.
What is the SMILES notation for methylamino N-hydroxysulfamate?
The canonical SMILES for methylamino N-hydroxysulfamate is CNOS(=O)(=O)NO.
What is the InChIKey of methylamino N-hydroxysulfamate?
The InChIKey is HFIJOVZBXDGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2O4S/c1-2-7-8(5,6)3-4/h2-4H,1H3.
What are the key properties of methylamino N-hydroxysulfamate?
methylamino N-hydroxysulfamate has a molecular weight of 142.14 g/mol, XLogP of -1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino N-hydroxysulfamate is sourced from PubChem (CID 88840593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).