2-piperazin-1-ylethanethiol

C6H14N2S — CID 22924269

IUPAC2-piperazin-1-ylethanethiol
SMILESSCCN1CCNCC1
InChIInChI=1S/C6H14N2S/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
InChIKeyYVSRIHGPYPFMRQ-UHFFFAOYSA-N
MW146.26 g/mol
LogP-0.18
Rot. Bonds2

About 2-piperazin-1-ylethanethiol

2-piperazin-1-ylethanethiol (PubChem CID 22924269) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-piperazin-1-ylethanethiol.

Molecular Properties

Compound Name2-piperazin-1-ylethanethiol
PubChem CID22924269
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-piperazin-1-ylethanethiol
SMILESSCCN1CCNCC1
InChIInChI=1S/C6H14N2S/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
InChIKeyYVSRIHGPYPFMRQ-UHFFFAOYSA-N
XLogP-0.18
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanethiol?
The IUPAC name of 2-piperazin-1-ylethanethiol (CID 22924269) is 2-piperazin-1-ylethanethiol.
What is the SMILES notation for 2-piperazin-1-ylethanethiol?
The canonical SMILES for 2-piperazin-1-ylethanethiol is SCCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanethiol?
The InChIKey is YVSRIHGPYPFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2.
What are the key properties of 2-piperazin-1-ylethanethiol?
2-piperazin-1-ylethanethiol has a molecular weight of 146.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanethiol is sourced from PubChem (CID 22924269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).