1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine

C10H22N2OS2 — CID 134517104

IUPAC1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine
SMILESCOCCSSCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2OS2/c1-11-3-5-12(6-4-11)7-9-14-15-10-8-13-2/h3-10H2,1-2H3
InChIKeyWTUSQZSTGBLHBM-UHFFFAOYSA-N
MW250.43 g/mol
LogP1.26
Rot. Bonds7

About 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine

1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine (PubChem CID 134517104) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine
PubChem CID134517104
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC Name1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine
SMILESCOCCSSCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2OS2/c1-11-3-5-12(6-4-11)7-9-14-15-10-8-13-2/h3-10H2,1-2H3
InChIKeyWTUSQZSTGBLHBM-UHFFFAOYSA-N
XLogP1.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine (CID 134517104) is 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine is COCCSSCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine?
The InChIKey is WTUSQZSTGBLHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS2/c1-11-3-5-12(6-4-11)7-9-14-15-10-8-13-2/h3-10H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine?
1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 134517104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).