2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium

C2H6N2O3S — CID 87669408

IUPAC2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium
SMILES[O-][NH+]1CCS[N+]1([O-])O
InChIInChI=1S/C2H6N2O3S/c5-3-1-2-8-4(3,6)7/h3,6H,1-2H2
InChIKeyYPRAMVMJGNCFRT-UHFFFAOYSA-N
MW138.15 g/mol
LogP-1.35
Rot. Bonds

About 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium

2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium (PubChem CID 87669408) has the molecular formula C2H6N2O3S and a molecular weight of 138.15 g/mol. Its IUPAC name is 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium.

Molecular Properties

Compound Name2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium
PubChem CID87669408
Molecular FormulaC2H6N2O3S
Molecular Weight138.15 g/mol
Exact Mass138.01
IUPAC Name2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium
SMILES[O-][NH+]1CCS[N+]1([O-])O
InChIInChI=1S/C2H6N2O3S/c5-3-1-2-8-4(3,6)7/h3,6H,1-2H2
InChIKeyYPRAMVMJGNCFRT-UHFFFAOYSA-N
XLogP-1.35
TPSA70.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-1.35
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'}

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Related Compounds

2-Hydroxythiadiazolidine
CID 23067435
1,1-Dihydroxy-3-oxidothiadiazolidin-3-ium
CID 87182120
3-Oxidothiadiazolidin-3-ium
CID 87192700
2,2-Dioxidothiadiazolidin-2-ium
CID 87427828
2-Hydroxy-2-oxidothiadiazolidin-2-ium
CID 87427829
2-Oxidothiadiazolidine
CID 173095362

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium?
The IUPAC name of 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium (CID 87669408) is 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium.
What is the SMILES notation for 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium?
The canonical SMILES for 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium is [O-][NH+]1CCS[N+]1([O-])O.
What is the InChIKey of 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium?
The InChIKey is YPRAMVMJGNCFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3S/c5-3-1-2-8-4(3,6)7/h3,6H,1-2H2.
What are the key properties of 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium?
2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium has a molecular weight of 138.15 g/mol, XLogP of -1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dioxidothiadiazolidine-2,3-diium is sourced from PubChem (CID 87669408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).