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

C8H18Cl2N2O3S — CID 47002857

IUPAC1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride
SMILESCl.Cl.O=S1(=O)CC(O)C(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O3S.2ClH/c11-8-6-14(12,13)5-7(8)10-3-1-9-2-4-10;;/h7-9,11H,1-6H2;2*1H
InChIKeyJMCLJEPUZAFCRH-UHFFFAOYSA-N
MW293.22 g/mol
LogP-1.11
Rot. Bonds1

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

1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride (PubChem CID 47002857) has the molecular formula C8H18Cl2N2O3S and a molecular weight of 293.22 g/mol. Its IUPAC name is 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride.

Molecular Properties

Compound Name1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride
PubChem CID47002857
Molecular FormulaC8H18Cl2N2O3S
Molecular Weight293.22 g/mol
Exact Mass292.04
IUPAC Name1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride
SMILESCl.Cl.O=S1(=O)CC(O)C(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O3S.2ClH/c11-8-6-14(12,13)5-7(8)10-3-1-9-2-4-10;;/h7-9,11H,1-6H2;2*1H
InChIKeyJMCLJEPUZAFCRH-UHFFFAOYSA-N
XLogP-1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 5-1.11
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;dihydrochloride?
The IUPAC name of 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride (CID 47002857) is 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride.
What is the SMILES notation for 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride?
The canonical SMILES for 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride is Cl.Cl.O=S1(=O)CC(O)C(N2CCNCC2)C1.
What is the InChIKey of 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride?
The InChIKey is JMCLJEPUZAFCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S.2ClH/c11-8-6-14(12,13)5-7(8)10-3-1-9-2-4-10;;/h7-9,11H,1-6H2;2*1H.
What are the key properties of 1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride?
1,1-dioxo-4-piperazin-1-ylthiolan-3-ol;dihydrochloride has a molecular weight of 293.22 g/mol, XLogP of -1.11, 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;dihydrochloride is sourced from PubChem (CID 47002857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).