4-piperazin-1-ylthiane 1,1-dioxide

C9H18N2O2S — CID 46785848

IUPAC4-piperazin-1-ylthiane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCNCC2)CC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-1-9(2-8-14)11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyRGFXOCLTTSWPRW-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.53
Rot. Bonds1

About 4-piperazin-1-ylthiane 1,1-dioxide

4-piperazin-1-ylthiane 1,1-dioxide (PubChem CID 46785848) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-piperazin-1-ylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-piperazin-1-ylthiane 1,1-dioxide
PubChem CID46785848
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name4-piperazin-1-ylthiane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCNCC2)CC1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-1-9(2-8-14)11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyRGFXOCLTTSWPRW-UHFFFAOYSA-N
XLogP-0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylthiane 1,1-dioxide?
The IUPAC name of 4-piperazin-1-ylthiane 1,1-dioxide (CID 46785848) is 4-piperazin-1-ylthiane 1,1-dioxide.
What is the SMILES notation for 4-piperazin-1-ylthiane 1,1-dioxide?
The canonical SMILES for 4-piperazin-1-ylthiane 1,1-dioxide is O=S1(=O)CCC(N2CCNCC2)CC1.
What is the InChIKey of 4-piperazin-1-ylthiane 1,1-dioxide?
The InChIKey is RGFXOCLTTSWPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)7-1-9(2-8-14)11-5-3-10-4-6-11/h9-10H,1-8H2.
What are the key properties of 4-piperazin-1-ylthiane 1,1-dioxide?
4-piperazin-1-ylthiane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylthiane 1,1-dioxide is sourced from PubChem (CID 46785848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).