imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid

C3H11NO4S2 — CID 162309753

IUPACimino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid
SMILESCS(=O)(=O)O.[H]N=S(C)(C)=O
InChIInChI=1S/C2H7NOS.CH4O3S/c2*1-5(2,3)4/h3H,1-2H3;1H3,(H,2,3,4)
InChIKeyIPLMMFKUQWYAHS-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.20
Rot. Bonds

About imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid

imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid (PubChem CID 162309753) has the molecular formula C3H11NO4S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid.

Molecular Properties

Compound Nameimino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid
PubChem CID162309753
Molecular FormulaC3H11NO4S2
Molecular Weight189.26 g/mol
Exact Mass189.01
IUPAC Nameimino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid
SMILESCS(=O)(=O)O.[H]N=S(C)(C)=O
InChIInChI=1S/C2H7NOS.CH4O3S/c2*1-5(2,3)4/h3H,1-2H3;1H3,(H,2,3,4)
InChIKeyIPLMMFKUQWYAHS-UHFFFAOYSA-N
XLogP-0.20
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.20
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 imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid?
The IUPAC name of imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid (CID 162309753) is imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid.
What is the SMILES notation for imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid?
The canonical SMILES for imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid is CS(=O)(=O)O.[H]N=S(C)(C)=O.
What is the InChIKey of imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid?
The InChIKey is IPLMMFKUQWYAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS.CH4O3S/c2*1-5(2,3)4/h3H,1-2H3;1H3,(H,2,3,4).
What are the key properties of imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid?
imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid has a molecular weight of 189.26 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-dimethyl-oxo-λ6-sulfane;methanesulfonic acid is sourced from PubChem (CID 162309753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).