1-(thiolan-3-yl)piperazine

C8H16N2S — CID 45099586

IUPAC1-(thiolan-3-yl)piperazine
SMILESC1CN(C2CCSC2)CCN1
InChIInChI=1S/C8H16N2S/c1-6-11-7-8(1)10-4-2-9-3-5-10/h8-9H,1-7H2
InChIKeyLVROFFNCKIOFQB-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.40
Rot. Bonds1

About 1-(thiolan-3-yl)piperazine

1-(thiolan-3-yl)piperazine (PubChem CID 45099586) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name1-(thiolan-3-yl)piperazine
PubChem CID45099586
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-(thiolan-3-yl)piperazine
SMILESC1CN(C2CCSC2)CCN1
InChIInChI=1S/C8H16N2S/c1-6-11-7-8(1)10-4-2-9-3-5-10/h8-9H,1-7H2
InChIKeyLVROFFNCKIOFQB-UHFFFAOYSA-N
XLogP0.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)piperazine?
The IUPAC name of 1-(thiolan-3-yl)piperazine (CID 45099586) is 1-(thiolan-3-yl)piperazine.
What is the SMILES notation for 1-(thiolan-3-yl)piperazine?
The canonical SMILES for 1-(thiolan-3-yl)piperazine is C1CN(C2CCSC2)CCN1.
What is the InChIKey of 1-(thiolan-3-yl)piperazine?
The InChIKey is LVROFFNCKIOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6-11-7-8(1)10-4-2-9-3-5-10/h8-9H,1-7H2.
What are the key properties of 1-(thiolan-3-yl)piperazine?
1-(thiolan-3-yl)piperazine has a molecular weight of 172.30 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)piperazine is sourced from PubChem (CID 45099586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).