1-(2-methylsulfanylethylsulfanyl)piperazine

C7H16N2S2 — CID 134871210

IUPAC1-(2-methylsulfanylethylsulfanyl)piperazine
SMILESCSCCSN1CCNCC1
InChIInChI=1S/C7H16N2S2/c1-10-6-7-11-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyXADRBQKJNYHSSD-UHFFFAOYSA-N
MW192.35 g/mol
LogP0.90
Rot. Bonds4

About 1-(2-methylsulfanylethylsulfanyl)piperazine

1-(2-methylsulfanylethylsulfanyl)piperazine (PubChem CID 134871210) has the molecular formula C7H16N2S2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(2-methylsulfanylethylsulfanyl)piperazine.

Molecular Properties

Compound Name1-(2-methylsulfanylethylsulfanyl)piperazine
PubChem CID134871210
Molecular FormulaC7H16N2S2
Molecular Weight192.35 g/mol
Exact Mass192.08
IUPAC Name1-(2-methylsulfanylethylsulfanyl)piperazine
SMILESCSCCSN1CCNCC1
InChIInChI=1S/C7H16N2S2/c1-10-6-7-11-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKeyXADRBQKJNYHSSD-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethylsulfanyl)piperazine?
The IUPAC name of 1-(2-methylsulfanylethylsulfanyl)piperazine (CID 134871210) is 1-(2-methylsulfanylethylsulfanyl)piperazine.
What is the SMILES notation for 1-(2-methylsulfanylethylsulfanyl)piperazine?
The canonical SMILES for 1-(2-methylsulfanylethylsulfanyl)piperazine is CSCCSN1CCNCC1.
What is the InChIKey of 1-(2-methylsulfanylethylsulfanyl)piperazine?
The InChIKey is XADRBQKJNYHSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S2/c1-10-6-7-11-9-4-2-8-3-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-methylsulfanylethylsulfanyl)piperazine?
1-(2-methylsulfanylethylsulfanyl)piperazine has a molecular weight of 192.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethylsulfanyl)piperazine is sourced from PubChem (CID 134871210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).