2-(thiolan-3-yl)piperazine

C8H16N2S — CID 131967174

IUPAC2-(thiolan-3-yl)piperazine
SMILESC1CNC(C2CCSC2)CN1
InChIInChI=1S/C8H16N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h7-10H,1-6H2
InChIKeyRZJPEEPFSHVJPV-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.30
Rot. Bonds1

About 2-(thiolan-3-yl)piperazine

2-(thiolan-3-yl)piperazine (PubChem CID 131967174) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name2-(thiolan-3-yl)piperazine
PubChem CID131967174
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-(thiolan-3-yl)piperazine
SMILESC1CNC(C2CCSC2)CN1
InChIInChI=1S/C8H16N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h7-10H,1-6H2
InChIKeyRZJPEEPFSHVJPV-UHFFFAOYSA-N
XLogP0.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)piperazine?
The IUPAC name of 2-(thiolan-3-yl)piperazine (CID 131967174) is 2-(thiolan-3-yl)piperazine.
What is the SMILES notation for 2-(thiolan-3-yl)piperazine?
The canonical SMILES for 2-(thiolan-3-yl)piperazine is C1CNC(C2CCSC2)CN1.
What is the InChIKey of 2-(thiolan-3-yl)piperazine?
The InChIKey is RZJPEEPFSHVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h7-10H,1-6H2.
What are the key properties of 2-(thiolan-3-yl)piperazine?
2-(thiolan-3-yl)piperazine has a molecular weight of 172.30 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)piperazine is sourced from PubChem (CID 131967174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).