methylsulfonylazanium

CH6NO2S+ — CID 59060153

IUPACmethylsulfonylazanium
SMILESCS([NH3+])(=O)=O
InChIInChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)/p+1
InChIKeyHNQIVZYLYMDVSB-UHFFFAOYSA-O
MW96.13 g/mol
LogP-1.81
Rot. Bonds

About methylsulfonylazanium

methylsulfonylazanium (PubChem CID 59060153) has the molecular formula CH6NO2S+ and a molecular weight of 96.13 g/mol. Its IUPAC name is methylsulfonylazanium.

Molecular Properties

Compound Namemethylsulfonylazanium
PubChem CID59060153
Molecular FormulaCH6NO2S+
Molecular Weight96.13 g/mol
Exact Mass96.01
IUPAC Namemethylsulfonylazanium
SMILESCS([NH3+])(=O)=O
InChIInChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)/p+1
InChIKeyHNQIVZYLYMDVSB-UHFFFAOYSA-O
XLogP-1.81
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide
CID 72879
Methylsulphamic acid
CID 77754
Methanesulfonic acid, ammonium salt (1:1)
CID 11297950
Methanesulfonamide hydrochloride
CID 21935211
Hydroxylamine, O-(methylsulfonyl)-
CID 4401340
N-chloromethanesulfonamide
CID 11040876
Methanesulfonamide sodium salt
CID 13150714
Methanesulphonamide dihydrochloride
CID 23102685
Methanesulfonyl sulfonamide
CID 23135099
N-bromomethanesulfonamide
CID 57476830
Methanesulphonamide hydrobromide
CID 129718228
Potassium methylsulfonylamide
CID 129857952

Frequently Asked Questions

What is the IUPAC name of methylsulfonylazanium?
The IUPAC name of methylsulfonylazanium (CID 59060153) is methylsulfonylazanium.
What is the SMILES notation for methylsulfonylazanium?
The canonical SMILES for methylsulfonylazanium is CS([NH3+])(=O)=O.
What is the InChIKey of methylsulfonylazanium?
The InChIKey is HNQIVZYLYMDVSB-UHFFFAOYSA-O. The full InChI is InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)/p+1.
What are the key properties of methylsulfonylazanium?
methylsulfonylazanium has a molecular weight of 96.13 g/mol, XLogP of -1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylazanium is sourced from PubChem (CID 59060153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).