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

C5H10N2O3S — CID 59773962

IUPAC1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one
SMILESCCCN1CC(=O)NS1(=O)=O
InChIInChI=1S/C5H10N2O3S/c1-2-3-7-4-5(8)6-11(7,9)10/h2-4H2,1H3,(H,6,8)
InChIKeyVYKQHLNBFZNAQP-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.93
Rot. Bonds2

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

1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one (PubChem CID 59773962) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one
PubChem CID59773962
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one
SMILESCCCN1CC(=O)NS1(=O)=O
InChIInChI=1S/C5H10N2O3S/c1-2-3-7-4-5(8)6-11(7,9)10/h2-4H2,1H3,(H,6,8)
InChIKeyVYKQHLNBFZNAQP-UHFFFAOYSA-N
XLogP-0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one (CID 59773962) is 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one is CCCN1CC(=O)NS1(=O)=O.
What is the InChIKey of 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one?
The InChIKey is VYKQHLNBFZNAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-2-3-7-4-5(8)6-11(7,9)10/h2-4H2,1H3,(H,6,8).
What are the key properties of 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one?
1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one has a molecular weight of 178.21 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 59773962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).