3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine

C15H24N2S — CID 64925856

IUPAC3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine
SMILESCCC(C)C1CN(c2cccc(SC)c2)CCN1
InChIInChI=1S/C15H24N2S/c1-4-12(2)15-11-17(9-8-16-15)13-6-5-7-14(10-13)18-3/h5-7,10,12,15-16H,4,8-9,11H2,1-3H3
InChIKeyRICBLORNJHNXEQ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.23
Rot. Bonds4

About 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine

3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine (PubChem CID 64925856) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine
PubChem CID64925856
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine
SMILESCCC(C)C1CN(c2cccc(SC)c2)CCN1
InChIInChI=1S/C15H24N2S/c1-4-12(2)15-11-17(9-8-16-15)13-6-5-7-14(10-13)18-3/h5-7,10,12,15-16H,4,8-9,11H2,1-3H3
InChIKeyRICBLORNJHNXEQ-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-1-(3-methylsulfanylphenyl)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

3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
CID 64926019
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
CID 64926057
3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine
CID 64925235
3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926714
3-butan-2-yl-1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine
CID 64923878
3-butan-2-yl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64926215
3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
CID 64924362
3-butan-2-yl-1-(2,6-difluoro-3-methylphenyl)piperazine
CID 82819374
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
CID 64924314
1-(4-bromo-3-chlorophenyl)-3-butan-2-yl-1,4-diazepane
CID 107617323
[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 24703960
3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine
CID 64925822

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine (CID 64925856) is 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine is CCC(C)C1CN(c2cccc(SC)c2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine?
The InChIKey is RICBLORNJHNXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-12(2)15-11-17(9-8-16-15)13-6-5-7-14(10-13)18-3/h5-7,10,12,15-16H,4,8-9,11H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine?
3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine has a molecular weight of 264.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine is sourced from PubChem (CID 64925856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).