sulfino methanimidate

CH3NO3S — CID 174318136

IUPACsulfino methanimidate
SMILES[H]/N=C/OS(=O)O
InChIInChI=1S/CH3NO3S/c2-1-5-6(3)4/h1-2H,(H,3,4)/b2-1+
InChIKeyMUBXJZMDSKBNFH-OWOJBTEDSA-N
MW109.11 g/mol
LogP-0.25
Rot. Bonds2

About sulfino methanimidate

sulfino methanimidate (PubChem CID 174318136) has the molecular formula CH3NO3S and a molecular weight of 109.11 g/mol. Its IUPAC name is sulfino methanimidate.

Molecular Properties

Compound Namesulfino methanimidate
PubChem CID174318136
Molecular FormulaCH3NO3S
Molecular Weight109.11 g/mol
Exact Mass108.98
IUPAC Namesulfino methanimidate
SMILES[H]/N=C/OS(=O)O
InChIInChI=1S/CH3NO3S/c2-1-5-6(3)4/h1-2H,(H,3,4)/b2-1+
InChIKeyMUBXJZMDSKBNFH-OWOJBTEDSA-N
XLogP-0.25
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sulfino methanimidate 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 sulfino methanimidate?
The IUPAC name of sulfino methanimidate (CID 174318136) is sulfino methanimidate.
What is the SMILES notation for sulfino methanimidate?
The canonical SMILES for sulfino methanimidate is [H]/N=C/OS(=O)O.
What is the InChIKey of sulfino methanimidate?
The InChIKey is MUBXJZMDSKBNFH-OWOJBTEDSA-N. The full InChI is InChI=1S/CH3NO3S/c2-1-5-6(3)4/h1-2H,(H,3,4)/b2-1+.
What are the key properties of sulfino methanimidate?
sulfino methanimidate has a molecular weight of 109.11 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfino methanimidate is sourced from PubChem (CID 174318136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).