1-benzyl-4-sulfanylpiperazine;ethane

C15H28N2S — CID 171536201

IUPAC1-benzyl-4-sulfanylpiperazine;ethane
SMILESCC.CC.SN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H16N2S.2C2H6/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;2*1-2/h1-5,14H,6-10H2;2*1-2H3
InChIKeyRJMNOJPBXMMKHY-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.70
Rot. Bonds2

About 1-benzyl-4-sulfanylpiperazine;ethane

1-benzyl-4-sulfanylpiperazine;ethane (PubChem CID 171536201) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-benzyl-4-sulfanylpiperazine;ethane.

Molecular Properties

Compound Name1-benzyl-4-sulfanylpiperazine;ethane
PubChem CID171536201
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-benzyl-4-sulfanylpiperazine;ethane
SMILESCC.CC.SN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H16N2S.2C2H6/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;2*1-2/h1-5,14H,6-10H2;2*1-2H3
InChIKeyRJMNOJPBXMMKHY-UHFFFAOYSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
4-benzyl-N-ethylpiperazin-1-amine
CID 67164318
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-4-tert-butylpiperazine
CID 3591937
1-benzylazepane
CID 10954328
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-sulfanylpiperazine;ethane?
The IUPAC name of 1-benzyl-4-sulfanylpiperazine;ethane (CID 171536201) is 1-benzyl-4-sulfanylpiperazine;ethane.
What is the SMILES notation for 1-benzyl-4-sulfanylpiperazine;ethane?
The canonical SMILES for 1-benzyl-4-sulfanylpiperazine;ethane is CC.CC.SN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-sulfanylpiperazine;ethane?
The InChIKey is RJMNOJPBXMMKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S.2C2H6/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;2*1-2/h1-5,14H,6-10H2;2*1-2H3.
What are the key properties of 1-benzyl-4-sulfanylpiperazine;ethane?
1-benzyl-4-sulfanylpiperazine;ethane has a molecular weight of 268.47 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-sulfanylpiperazine;ethane is sourced from PubChem (CID 171536201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).