[(E)-ethylideneamino] methanesulfinate

C3H7NO2S — CID 20647996

IUPAC[(E)-ethylideneamino] methanesulfinate
SMILESC/C=N/OS(C)=O
InChIInChI=1S/C3H7NO2S/c1-3-4-6-7(2)5/h3H,1-2H3/b4-3+
InChIKeyPOGQVNXUKUULQP-ONEGZZNKSA-N
MW121.16 g/mol
LogP0.30
Rot. Bonds2

About [(E)-ethylideneamino] methanesulfinate

[(E)-ethylideneamino] methanesulfinate (PubChem CID 20647996) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is [(E)-ethylideneamino] methanesulfinate.

Molecular Properties

Compound Name[(E)-ethylideneamino] methanesulfinate
PubChem CID20647996
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name[(E)-ethylideneamino] methanesulfinate
SMILESC/C=N/OS(C)=O
InChIInChI=1S/C3H7NO2S/c1-3-4-6-7(2)5/h3H,1-2H3/b4-3+
InChIKeyPOGQVNXUKUULQP-ONEGZZNKSA-N
XLogP0.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-ethylideneamino] methanesulfinate 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 [(E)-ethylideneamino] methanesulfinate?
The IUPAC name of [(E)-ethylideneamino] methanesulfinate (CID 20647996) is [(E)-ethylideneamino] methanesulfinate.
What is the SMILES notation for [(E)-ethylideneamino] methanesulfinate?
The canonical SMILES for [(E)-ethylideneamino] methanesulfinate is C/C=N/OS(C)=O.
What is the InChIKey of [(E)-ethylideneamino] methanesulfinate?
The InChIKey is POGQVNXUKUULQP-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-3-4-6-7(2)5/h3H,1-2H3/b4-3+.
What are the key properties of [(E)-ethylideneamino] methanesulfinate?
[(E)-ethylideneamino] methanesulfinate has a molecular weight of 121.16 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino] methanesulfinate is sourced from PubChem (CID 20647996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).