1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine

C14H30N2O2S2 — CID 146552791

IUPAC1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine
SMILESCC(C)OSCCN1CCN(CCSOC(C)C)CC1
InChIInChI=1S/C14H30N2O2S2/c1-13(2)17-19-11-9-15-5-7-16(8-6-15)10-12-20-18-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyZIHUKGZPOMAQQU-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.75
Rot. Bonds10

About 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine

1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine (PubChem CID 146552791) has the molecular formula C14H30N2O2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine.

Molecular Properties

Compound Name1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine
PubChem CID146552791
Molecular FormulaC14H30N2O2S2
Molecular Weight322.54 g/mol
Exact Mass322.17
IUPAC Name1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine
SMILESCC(C)OSCCN1CCN(CCSOC(C)C)CC1
InChIInChI=1S/C14H30N2O2S2/c1-13(2)17-19-11-9-15-5-7-16(8-6-15)10-12-20-18-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyZIHUKGZPOMAQQU-UHFFFAOYSA-N
XLogP2.75
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine?
The IUPAC name of 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine (CID 146552791) is 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine.
What is the SMILES notation for 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine?
The canonical SMILES for 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine is CC(C)OSCCN1CCN(CCSOC(C)C)CC1.
What is the InChIKey of 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine?
The InChIKey is ZIHUKGZPOMAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S2/c1-13(2)17-19-11-9-15-5-7-16(8-6-15)10-12-20-18-14(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine?
1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine has a molecular weight of 322.54 g/mol, XLogP of 2.75, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine is sourced from PubChem (CID 146552791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).