methyl N'-methylsulfonylcarbamimidothioate

C3H8N2O2S2 — CID 10654681

IUPACmethyl N'-methylsulfonylcarbamimidothioate
SMILESCS/C(N)=N\S(C)(=O)=O
InChIInChI=1S/C3H8N2O2S2/c1-8-3(4)5-9(2,6)7/h1-2H3,(H2,4,5)
InChIKeyAEKUKKMGSZXVTG-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.38
Rot. Bonds1

About methyl N'-methylsulfonylcarbamimidothioate

methyl N'-methylsulfonylcarbamimidothioate (PubChem CID 10654681) has the molecular formula C3H8N2O2S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl N'-methylsulfonylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-methylsulfonylcarbamimidothioate
PubChem CID10654681
Molecular FormulaC3H8N2O2S2
Molecular Weight168.24 g/mol
Exact Mass168.00
IUPAC Namemethyl N'-methylsulfonylcarbamimidothioate
SMILESCS/C(N)=N\S(C)(=O)=O
InChIInChI=1S/C3H8N2O2S2/c1-8-3(4)5-9(2,6)7/h1-2H3,(H2,4,5)
InChIKeyAEKUKKMGSZXVTG-UHFFFAOYSA-N
XLogP-0.38
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N'-methylsulfonylcarbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N'-methylsulfonylcarbamimidothioate?
The IUPAC name of methyl N'-methylsulfonylcarbamimidothioate (CID 10654681) is methyl N'-methylsulfonylcarbamimidothioate.
What is the SMILES notation for methyl N'-methylsulfonylcarbamimidothioate?
The canonical SMILES for methyl N'-methylsulfonylcarbamimidothioate is CS/C(N)=N\S(C)(=O)=O.
What is the InChIKey of methyl N'-methylsulfonylcarbamimidothioate?
The InChIKey is AEKUKKMGSZXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S2/c1-8-3(4)5-9(2,6)7/h1-2H3,(H2,4,5).
What are the key properties of methyl N'-methylsulfonylcarbamimidothioate?
methyl N'-methylsulfonylcarbamimidothioate has a molecular weight of 168.24 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-methylsulfonylcarbamimidothioate is sourced from PubChem (CID 10654681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).