5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C3H6N2O3S — CID 18986156

IUPAC5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCN1CC(=O)NS1(=O)=O
InChIInChI=1S/C3H6N2O3S/c1-5-2-3(6)4-9(5,7)8/h2H2,1H3,(H,4,6)
InChIKeyWUISDMALWQTMCX-UHFFFAOYSA-N
MW150.16 g/mol
LogP-1.71
Rot. Bonds

About 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 18986156) has the molecular formula C3H6N2O3S and a molecular weight of 150.16 g/mol. Its IUPAC name is 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID18986156
Molecular FormulaC3H6N2O3S
Molecular Weight150.16 g/mol
Exact Mass150.01
IUPAC Name5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCN1CC(=O)NS1(=O)=O
InChIInChI=1S/C3H6N2O3S/c1-5-2-3(6)4-9(5,7)8/h2H2,1H3,(H,4,6)
InChIKeyWUISDMALWQTMCX-UHFFFAOYSA-N
XLogP-1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 18986156) is 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CN1CC(=O)NS1(=O)=O.
What is the InChIKey of 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is WUISDMALWQTMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3S/c1-5-2-3(6)4-9(5,7)8/h2H2,1H3,(H,4,6).
What are the key properties of 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 150.16 g/mol, XLogP of -1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 18986156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).