1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine

C14H30N2S — CID 113474537

IUPAC1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCCSCCN1CC(CC(C)C)NCC1(C)C
InChIInChI=1S/C14H30N2S/c1-6-17-8-7-16-10-13(9-12(2)3)15-11-14(16,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyWJBKIELEDQTUQO-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds6

About 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine

1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine (PubChem CID 113474537) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
PubChem CID113474537
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCCSCCN1CC(CC(C)C)NCC1(C)C
InChIInChI=1S/C14H30N2S/c1-6-17-8-7-16-10-13(9-12(2)3)15-11-14(16,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyWJBKIELEDQTUQO-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64847410
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 79445054
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 80697725
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848565
1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848563
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
1-cyclohexyl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 82936775
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
2-cyclopropyl-1-hexyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64849739

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine (CID 113474537) is 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine is CCSCCN1CC(CC(C)C)NCC1(C)C.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The InChIKey is WJBKIELEDQTUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-6-17-8-7-16-10-13(9-12(2)3)15-11-14(16,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine?
1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 113474537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).