1-sulfanylpiperazine

C4H10N2S — CID 18533336

IUPAC1-sulfanylpiperazine
SMILESSN1CCNCC1
InChIInChI=1S/C4H10N2S/c7-6-3-1-5-2-4-6/h5,7H,1-4H2
InChIKeyDNTQTNXUBQIWFE-UHFFFAOYSA-N
MW118.21 g/mol
LogP-0.26
Rot. Bonds

About 1-sulfanylpiperazine

1-sulfanylpiperazine (PubChem CID 18533336) has the molecular formula C4H10N2S and a molecular weight of 118.21 g/mol. Its IUPAC name is 1-sulfanylpiperazine.

Molecular Properties

Compound Name1-sulfanylpiperazine
PubChem CID18533336
Molecular FormulaC4H10N2S
Molecular Weight118.21 g/mol
Exact Mass118.06
IUPAC Name1-sulfanylpiperazine
SMILESSN1CCNCC1
InChIInChI=1S/C4H10N2S/c7-6-3-1-5-2-4-6/h5,7H,1-4H2
InChIKeyDNTQTNXUBQIWFE-UHFFFAOYSA-N
XLogP-0.26
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.21
LogP ≤ 5-0.26
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

Piperazine
CID 4837
Piperazine Dihydrochloride
CID 8893
1-Methylpiperazine
CID 53167
Aminoethylpiperazine
CID 8795
Piperazine, hydrochloride (1:?)
CID 82044
1-Ethylpiperazine
CID 79196
Piperazine, hydrobromide (1:1)
CID 3014804
Piperazine, hydrate (1:?)
CID 167574
Piperazine Dihydriodide
CID 20068687
Piperazine-carbon disulfide complex
CID 87395323
Piperazine dihydrobromide
CID 3017157
Piperazine, hydriodide (1:?)
CID 3018278

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpiperazine?
The IUPAC name of 1-sulfanylpiperazine (CID 18533336) is 1-sulfanylpiperazine.
What is the SMILES notation for 1-sulfanylpiperazine?
The canonical SMILES for 1-sulfanylpiperazine is SN1CCNCC1.
What is the InChIKey of 1-sulfanylpiperazine?
The InChIKey is DNTQTNXUBQIWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c7-6-3-1-5-2-4-6/h5,7H,1-4H2.
What are the key properties of 1-sulfanylpiperazine?
1-sulfanylpiperazine has a molecular weight of 118.21 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpiperazine is sourced from PubChem (CID 18533336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).