azane;methylsulfamic acid

CH8N2O3S — CID 173138884

IUPACazane;methylsulfamic acid
SMILESCNS(=O)(=O)O.N
InChIInChI=1S/CH5NO3S.H3N/c1-2-6(3,4)5;/h2H,1H3,(H,3,4,5);1H3
InChIKeyOONGYKGSSJJWHR-UHFFFAOYSA-N
MW128.15 g/mol
LogP-0.83
Rot. Bonds1

About azane;methylsulfamic acid

azane;methylsulfamic acid (PubChem CID 173138884) has the molecular formula CH8N2O3S and a molecular weight of 128.15 g/mol. Its IUPAC name is azane;methylsulfamic acid.

Molecular Properties

Compound Nameazane;methylsulfamic acid
PubChem CID173138884
Molecular FormulaCH8N2O3S
Molecular Weight128.15 g/mol
Exact Mass128.03
IUPAC Nameazane;methylsulfamic acid
SMILESCNS(=O)(=O)O.N
InChIInChI=1S/CH5NO3S.H3N/c1-2-6(3,4)5;/h2H,1H3,(H,3,4,5);1H3
InChIKeyOONGYKGSSJJWHR-UHFFFAOYSA-N
XLogP-0.83
TPSA101.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;methanesulfonic acid;hydrate
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hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
CID 87129852
CID 87129852
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
chloroform;methanesulfonic acid
CID 158495186
azane;sulfuric acid
CID 173165368
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065

Frequently Asked Questions

What is the IUPAC name of azane;methylsulfamic acid?
The IUPAC name of azane;methylsulfamic acid (CID 173138884) is azane;methylsulfamic acid.
What is the SMILES notation for azane;methylsulfamic acid?
The canonical SMILES for azane;methylsulfamic acid is CNS(=O)(=O)O.N.
What is the InChIKey of azane;methylsulfamic acid?
The InChIKey is OONGYKGSSJJWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO3S.H3N/c1-2-6(3,4)5;/h2H,1H3,(H,3,4,5);1H3.
What are the key properties of azane;methylsulfamic acid?
azane;methylsulfamic acid has a molecular weight of 128.15 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methylsulfamic acid is sourced from PubChem (CID 173138884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).