1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one

C5H10N2O3S — CID 19424451

IUPAC1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one
SMILESCC(C)C1NS(=O)(=O)NC1=O
InChIInChI=1S/C5H10N2O3S/c1-3(2)4-5(8)7-11(9,10)6-4/h3-4,6H,1-2H3,(H,7,8)
InChIKeyARGDYBLGWYGDMM-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.02
Rot. Bonds1

About 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one

1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one (PubChem CID 19424451) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one
PubChem CID19424451
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one
SMILESCC(C)C1NS(=O)(=O)NC1=O
InChIInChI=1S/C5H10N2O3S/c1-3(2)4-5(8)7-11(9,10)6-4/h3-4,6H,1-2H3,(H,7,8)
InChIKeyARGDYBLGWYGDMM-UHFFFAOYSA-N
XLogP-1.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one (CID 19424451) is 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one is CC(C)C1NS(=O)(=O)NC1=O.
What is the InChIKey of 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one?
The InChIKey is ARGDYBLGWYGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-3(2)4-5(8)7-11(9,10)6-4/h3-4,6H,1-2H3,(H,7,8).
What are the key properties of 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one?
1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one has a molecular weight of 178.21 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 19424451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).