1,1-dioxo-4-piperazin-1-ylthiolan-3-ol

C8H16N2O3S — CID 43827492

IUPAC1,1-dioxo-4-piperazin-1-ylthiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O3S/c11-8-6-14(12,13)5-7(8)10-3-1-9-2-4-10/h7-9,11H,1-6H2
InChIKeyXEBUDYROHUQOQH-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.95
Rot. Bonds1

About 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol

1,1-dioxo-4-piperazin-1-ylthiolan-3-ol (PubChem CID 43827492) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-piperazin-1-ylthiolan-3-ol
PubChem CID43827492
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1,1-dioxo-4-piperazin-1-ylthiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O3S/c11-8-6-14(12,13)5-7(8)10-3-1-9-2-4-10/h7-9,11H,1-6H2
InChIKeyXEBUDYROHUQOQH-UHFFFAOYSA-N
XLogP-1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol (CID 43827492) is 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol is O=S1(=O)CC(O)C(N2CCNCC2)C1.
What is the InChIKey of 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol?
The InChIKey is XEBUDYROHUQOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c11-8-6-14(12,13)5-7(8)10-3-1-9-2-4-10/h7-9,11H,1-6H2.
What are the key properties of 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol?
1,1-dioxo-4-piperazin-1-ylthiolan-3-ol has a molecular weight of 220.29 g/mol, XLogP of -1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol is sourced from PubChem (CID 43827492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).