methanesulfonamide;methanesulfonic acid

C2H9NO5S2 — CID 87720098

IUPACmethanesulfonamide;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(N)(=O)=O
InChIInChI=1S/CH5NO2S.CH4O3S/c2*1-5(2,3)4/h1H3,(H2,2,3,4);1H3,(H,2,3,4)
InChIKeyWEYMGDYCPZNSNW-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.59
Rot. Bonds

About methanesulfonamide;methanesulfonic acid

methanesulfonamide;methanesulfonic acid (PubChem CID 87720098) has the molecular formula C2H9NO5S2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methanesulfonamide;methanesulfonic acid.

Molecular Properties

Compound Namemethanesulfonamide;methanesulfonic acid
PubChem CID87720098
Molecular FormulaC2H9NO5S2
Molecular Weight191.23 g/mol
Exact Mass190.99
IUPAC Namemethanesulfonamide;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(N)(=O)=O
InChIInChI=1S/CH5NO2S.CH4O3S/c2*1-5(2,3)4/h1H3,(H2,2,3,4);1H3,(H,2,3,4)
InChIKeyWEYMGDYCPZNSNW-UHFFFAOYSA-N
XLogP-1.59
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanesulfonamide;methanesulfonic acid?
The IUPAC name of methanesulfonamide;methanesulfonic acid (CID 87720098) is methanesulfonamide;methanesulfonic acid.
What is the SMILES notation for methanesulfonamide;methanesulfonic acid?
The canonical SMILES for methanesulfonamide;methanesulfonic acid is CS(=O)(=O)O.CS(N)(=O)=O.
What is the InChIKey of methanesulfonamide;methanesulfonic acid?
The InChIKey is WEYMGDYCPZNSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO2S.CH4O3S/c2*1-5(2,3)4/h1H3,(H2,2,3,4);1H3,(H,2,3,4).
What are the key properties of methanesulfonamide;methanesulfonic acid?
methanesulfonamide;methanesulfonic acid has a molecular weight of 191.23 g/mol, XLogP of -1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamide;methanesulfonic acid is sourced from PubChem (CID 87720098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).