1,4-bis(decylsulfanyl)piperazine

C24H50N2S2 — CID 163559724

IUPAC1,4-bis(decylsulfanyl)piperazine
SMILESCCCCCCCCCCSN1CCN(SCCCCCCCCCC)CC1
InChIInChI=1S/C24H50N2S2/c1-3-5-7-9-11-13-15-17-23-27-25-19-21-26(22-20-25)28-24-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyFQEUSCDYUKHHIV-UHFFFAOYSA-N
MW430.81 g/mol
LogP8.18
Rot. Bonds20

About 1,4-bis(decylsulfanyl)piperazine

1,4-bis(decylsulfanyl)piperazine (PubChem CID 163559724) has the molecular formula C24H50N2S2 and a molecular weight of 430.81 g/mol. Its IUPAC name is 1,4-bis(decylsulfanyl)piperazine.

Molecular Properties

Compound Name1,4-bis(decylsulfanyl)piperazine
PubChem CID163559724
Molecular FormulaC24H50N2S2
Molecular Weight430.81 g/mol
Exact Mass430.34
IUPAC Name1,4-bis(decylsulfanyl)piperazine
SMILESCCCCCCCCCCSN1CCN(SCCCCCCCCCC)CC1
InChIInChI=1S/C24H50N2S2/c1-3-5-7-9-11-13-15-17-23-27-25-19-21-26(22-20-25)28-24-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyFQEUSCDYUKHHIV-UHFFFAOYSA-N
XLogP8.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 58.18
H-Bond Donors ≤ 50
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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Related Compounds

4-pentylsulfanylmorpholine
CID 134928902
1-decylsulfanylpyrrolidine-2,5-dione
CID 13352145
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-[1-(decyldisulfanyl)ethenyl]pyrrolidine
CID 167259574
1-hexylsulfanyloctadecane
CID 21424485
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanylicosane
CID 87077585

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(decylsulfanyl)piperazine?
The IUPAC name of 1,4-bis(decylsulfanyl)piperazine (CID 163559724) is 1,4-bis(decylsulfanyl)piperazine.
What is the SMILES notation for 1,4-bis(decylsulfanyl)piperazine?
The canonical SMILES for 1,4-bis(decylsulfanyl)piperazine is CCCCCCCCCCSN1CCN(SCCCCCCCCCC)CC1.
What is the InChIKey of 1,4-bis(decylsulfanyl)piperazine?
The InChIKey is FQEUSCDYUKHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2S2/c1-3-5-7-9-11-13-15-17-23-27-25-19-21-26(22-20-25)28-24-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 1,4-bis(decylsulfanyl)piperazine?
1,4-bis(decylsulfanyl)piperazine has a molecular weight of 430.81 g/mol, XLogP of 8.18, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(decylsulfanyl)piperazine is sourced from PubChem (CID 163559724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).