2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine

C15H32N2S — CID 113474497

IUPAC2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine
SMILESCCSCCN1CC(C(C)C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2S/c1-7-18-9-8-17-11-13(12(2)3)16-10-14(17)15(4,5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyFCCDDDMAHGYOQT-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.08
Rot. Bonds5

About 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine

2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine (PubChem CID 113474497) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine
PubChem CID113474497
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine
SMILESCCSCCN1CC(C(C)C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2S/c1-7-18-9-8-17-11-13(12(2)3)16-10-14(17)15(4,5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyFCCDDDMAHGYOQT-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.08
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-tert-butyl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64838851
2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
CID 65461068
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
CID 103141252
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine
CID 113474527
2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432746
2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839634
1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
CID 64832139

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine (CID 113474497) is 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine is CCSCCN1CC(C(C)C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine?
The InChIKey is FCCDDDMAHGYOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-7-18-9-8-17-11-13(12(2)3)16-10-14(17)15(4,5)6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine?
2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine has a molecular weight of 272.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 113474497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).