piperazin-1-ylmethanethiol

C5H12N2S — CID 45087512

IUPACpiperazin-1-ylmethanethiol
SMILESSCN1CCNCC1
InChIInChI=1S/C5H12N2S/c8-5-7-3-1-6-2-4-7/h6,8H,1-5H2
InChIKeyLISQRWYCVKXSIU-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.22
Rot. Bonds1

About piperazin-1-ylmethanethiol

piperazin-1-ylmethanethiol (PubChem CID 45087512) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is piperazin-1-ylmethanethiol.

Molecular Properties

Compound Namepiperazin-1-ylmethanethiol
PubChem CID45087512
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Namepiperazin-1-ylmethanethiol
SMILESSCN1CCNCC1
InChIInChI=1S/C5H12N2S/c8-5-7-3-1-6-2-4-7/h6,8H,1-5H2
InChIKeyLISQRWYCVKXSIU-UHFFFAOYSA-N
XLogP-0.22
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(piperidin-1-ylmethyl)piperazine
CID 20508970
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-(2,2-difluoroethyl)piperazine
CID 19622797
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
methane;2-piperazin-1-ylethanamine
CID 160655027
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
azane;2-piperazin-1-ylethanol
CID 23318747
1-(methoxymethyl)-1,4-diazepane
CID 174500454
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423

Frequently Asked Questions

What is the IUPAC name of piperazin-1-ylmethanethiol?
The IUPAC name of piperazin-1-ylmethanethiol (CID 45087512) is piperazin-1-ylmethanethiol.
What is the SMILES notation for piperazin-1-ylmethanethiol?
The canonical SMILES for piperazin-1-ylmethanethiol is SCN1CCNCC1.
What is the InChIKey of piperazin-1-ylmethanethiol?
The InChIKey is LISQRWYCVKXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c8-5-7-3-1-6-2-4-7/h6,8H,1-5H2.
What are the key properties of piperazin-1-ylmethanethiol?
piperazin-1-ylmethanethiol has a molecular weight of 132.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ylmethanethiol is sourced from PubChem (CID 45087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).