3-oxidothiadiazolidin-3-ium 1,1-dioxide

C2H6N2O3S — CID 87599630

IUPAC3-oxidothiadiazolidin-3-ium 1,1-dioxide
SMILESO=S1(=O)CC[NH+]([O-])N1
InChIInChI=1S/C2H6N2O3S/c5-4-1-2-8(6,7)3-4/h3-4H,1-2H2
InChIKeyAWYHCLFLFRBDRH-UHFFFAOYSA-N
MW138.15 g/mol
LogP-2.78
Rot. Bonds

About 3-oxidothiadiazolidin-3-ium 1,1-dioxide

3-oxidothiadiazolidin-3-ium 1,1-dioxide (PubChem CID 87599630) has the molecular formula C2H6N2O3S and a molecular weight of 138.15 g/mol. Its IUPAC name is 3-oxidothiadiazolidin-3-ium 1,1-dioxide.

Molecular Properties

Compound Name3-oxidothiadiazolidin-3-ium 1,1-dioxide
PubChem CID87599630
Molecular FormulaC2H6N2O3S
Molecular Weight138.15 g/mol
Exact Mass138.01
IUPAC Name3-oxidothiadiazolidin-3-ium 1,1-dioxide
SMILESO=S1(=O)CC[NH+]([O-])N1
InChIInChI=1S/C2H6N2O3S/c5-4-1-2-8(6,7)3-4/h3-4H,1-2H2
InChIKeyAWYHCLFLFRBDRH-UHFFFAOYSA-N
XLogP-2.78
TPSA73.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-2.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxidothiadiazolidin-3-ium 1,1-dioxide?
The IUPAC name of 3-oxidothiadiazolidin-3-ium 1,1-dioxide (CID 87599630) is 3-oxidothiadiazolidin-3-ium 1,1-dioxide.
What is the SMILES notation for 3-oxidothiadiazolidin-3-ium 1,1-dioxide?
The canonical SMILES for 3-oxidothiadiazolidin-3-ium 1,1-dioxide is O=S1(=O)CC[NH+]([O-])N1.
What is the InChIKey of 3-oxidothiadiazolidin-3-ium 1,1-dioxide?
The InChIKey is AWYHCLFLFRBDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3S/c5-4-1-2-8(6,7)3-4/h3-4H,1-2H2.
What are the key properties of 3-oxidothiadiazolidin-3-ium 1,1-dioxide?
3-oxidothiadiazolidin-3-ium 1,1-dioxide has a molecular weight of 138.15 g/mol, XLogP of -2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxidothiadiazolidin-3-ium 1,1-dioxide is sourced from PubChem (CID 87599630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).