3-piperazin-1-ylthiolane 1,1-dioxide

C8H16N2O2S — CID 4962357

IUPAC3-piperazin-1-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O2S/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10/h8-9H,1-7H2
InChIKeyCNOXWQHELZMCQH-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.92
Rot. Bonds1

About 3-piperazin-1-ylthiolane 1,1-dioxide

3-piperazin-1-ylthiolane 1,1-dioxide (PubChem CID 4962357) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-piperazin-1-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-piperazin-1-ylthiolane 1,1-dioxide
PubChem CID4962357
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-piperazin-1-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O2S/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10/h8-9H,1-7H2
InChIKeyCNOXWQHELZMCQH-UHFFFAOYSA-N
XLogP-0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylthiolane 1,1-dioxide?
The IUPAC name of 3-piperazin-1-ylthiolane 1,1-dioxide (CID 4962357) is 3-piperazin-1-ylthiolane 1,1-dioxide.
What is the SMILES notation for 3-piperazin-1-ylthiolane 1,1-dioxide?
The canonical SMILES for 3-piperazin-1-ylthiolane 1,1-dioxide is O=S1(=O)CCC(N2CCNCC2)C1.
What is the InChIKey of 3-piperazin-1-ylthiolane 1,1-dioxide?
The InChIKey is CNOXWQHELZMCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10/h8-9H,1-7H2.
What are the key properties of 3-piperazin-1-ylthiolane 1,1-dioxide?
3-piperazin-1-ylthiolane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylthiolane 1,1-dioxide is sourced from PubChem (CID 4962357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).