1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine

C15H24N2S — CID 117034526

IUPAC1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
SMILESCc1ccc(C)c(SCCCN2CCNCC2)c1
InChIInChI=1S/C15H24N2S/c1-13-4-5-14(2)15(12-13)18-11-3-8-17-9-6-16-7-10-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyLEACMLQFUUNEPY-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.69
Rot. Bonds5

About 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine

1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine (PubChem CID 117034526) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine.

Molecular Properties

Compound Name1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
PubChem CID117034526
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
SMILESCc1ccc(C)c(SCCCN2CCNCC2)c1
InChIInChI=1S/C15H24N2S/c1-13-4-5-14(2)15(12-13)18-11-3-8-17-9-6-16-7-10-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyLEACMLQFUUNEPY-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)phenol
CID 14241699
1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine;dihydrochloride
CID 131880724
[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine
CID 142646076
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
5-(2,5-dimethylphenyl)sulfanyl-2,2-dimethylpentan-1-amine
CID 65255604
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine
CID 96663407
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
CID 112741724

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine?
The IUPAC name of 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine (CID 117034526) is 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine.
What is the SMILES notation for 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine?
The canonical SMILES for 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine is Cc1ccc(C)c(SCCCN2CCNCC2)c1.
What is the InChIKey of 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine?
The InChIKey is LEACMLQFUUNEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-13-4-5-14(2)15(12-13)18-11-3-8-17-9-6-16-7-10-17/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine?
1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine is sourced from PubChem (CID 117034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).