2-hydroxy-2-oxidothiadiazolidin-2-ium

C2H6N2O2S — CID 87427829

IUPAC2-hydroxy-2-oxidothiadiazolidin-2-ium
SMILES[O-][N+]1(O)NCCS1
InChIInChI=1S/C2H6N2O2S/c5-4(6)3-1-2-7-4/h3,5H,1-2H2
InChIKeyIKXWGDPOVWOTKF-UHFFFAOYSA-N
MW122.15 g/mol
LogP-0.14
Rot. Bonds

About 2-hydroxy-2-oxidothiadiazolidin-2-ium

2-hydroxy-2-oxidothiadiazolidin-2-ium (PubChem CID 87427829) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is 2-hydroxy-2-oxidothiadiazolidin-2-ium.

Molecular Properties

Compound Name2-hydroxy-2-oxidothiadiazolidin-2-ium
PubChem CID87427829
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Name2-hydroxy-2-oxidothiadiazolidin-2-ium
SMILES[O-][N+]1(O)NCCS1
InChIInChI=1S/C2H6N2O2S/c5-4(6)3-1-2-7-4/h3,5H,1-2H2
InChIKeyIKXWGDPOVWOTKF-UHFFFAOYSA-N
XLogP-0.14
TPSA55.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-oxidothiadiazolidin-2-ium with MolForge

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

Launch Full Analysis

Related Compounds

Thiadiazolidin-2-ium 2-oxide
CID 57010971
2-Hydroxythiadiazolidine
CID 23067435
2,2-Dioxidothiadiazolidin-2-ium
CID 87427828
2-Hydroxy-2,3-dioxidothiadiazolidine-2,3-diium
CID 87669408
2-Hydroxy-5-methylthiadiazolidine
CID 154935812
2-Oxidothiadiazolidine
CID 173095362
CID 179085046
CID 179085046

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-oxidothiadiazolidin-2-ium?
The IUPAC name of 2-hydroxy-2-oxidothiadiazolidin-2-ium (CID 87427829) is 2-hydroxy-2-oxidothiadiazolidin-2-ium.
What is the SMILES notation for 2-hydroxy-2-oxidothiadiazolidin-2-ium?
The canonical SMILES for 2-hydroxy-2-oxidothiadiazolidin-2-ium is [O-][N+]1(O)NCCS1.
What is the InChIKey of 2-hydroxy-2-oxidothiadiazolidin-2-ium?
The InChIKey is IKXWGDPOVWOTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S/c5-4(6)3-1-2-7-4/h3,5H,1-2H2.
What are the key properties of 2-hydroxy-2-oxidothiadiazolidin-2-ium?
2-hydroxy-2-oxidothiadiazolidin-2-ium has a molecular weight of 122.15 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-oxidothiadiazolidin-2-ium is sourced from PubChem (CID 87427829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).