2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine

C13H24N2S — CID 106432746

IUPAC2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
SMILESC#CCSCCN1CC(C(C)C)NCC1C
InChIInChI=1S/C13H24N2S/c1-5-7-16-8-6-15-10-13(11(2)3)14-9-12(15)4/h1,11-14H,6-10H2,2-4H3
InChIKeyFWQPQNSEZUJETG-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.67
Rot. Bonds5

About 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine

2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine (PubChem CID 106432746) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
PubChem CID106432746
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
SMILESC#CCSCCN1CC(C(C)C)NCC1C
InChIInChI=1S/C13H24N2S/c1-5-7-16-8-6-15-10-13(11(2)3)14-9-12(15)4/h1,11-14H,6-10H2,2-4H3
InChIKeyFWQPQNSEZUJETG-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
CID 106211794
2-methyl-1-(4-methylpentyl)-5-propan-2-ylpiperazine
CID 64937614
1-(2,2-difluoroethyl)-2-methyl-5-propan-2-ylpiperazine
CID 64831726
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
CID 114188253
2-methyl-5-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008768
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
CID 64937920
5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432749
2-tert-butyl-1-(2-ethylsulfanylethyl)-5-propan-2-ylpiperazine
CID 113474497
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
2-methyl-5-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79350021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The IUPAC name of 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine (CID 106432746) is 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine is C#CCSCCN1CC(C(C)C)NCC1C.
What is the InChIKey of 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The InChIKey is FWQPQNSEZUJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-7-16-8-6-15-10-13(11(2)3)14-9-12(15)4/h1,11-14H,6-10H2,2-4H3.
What are the key properties of 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine has a molecular weight of 240.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine is sourced from PubChem (CID 106432746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).