5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine

C16H30N2S — CID 106432749

IUPAC5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
SMILESC#CCSCCN1CC(CC)(CC)NCC1C(C)C
InChIInChI=1S/C16H30N2S/c1-6-10-19-11-9-18-13-16(7-2,8-3)17-12-15(18)14(4)5/h1,14-15,17H,7-13H2,2-5H3
InChIKeyIRUDNDDGFLIFOY-UHFFFAOYSA-N
MW282.50 g/mol
LogP2.84
Rot. Bonds7

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

5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine (PubChem CID 106432749) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
PubChem CID106432749
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
SMILESC#CCSCCN1CC(CC)(CC)NCC1C(C)C
InChIInChI=1S/C16H30N2S/c1-6-10-19-11-9-18-13-16(7-2,8-3)17-12-15(18)14(4)5/h1,14-15,17H,7-13H2,2-5H3
InChIKeyIRUDNDDGFLIFOY-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 52.84
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

5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432730
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432746
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415561
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64939834
5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298471

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine (CID 106432749) is 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine is C#CCSCCN1CC(CC)(CC)NCC1C(C)C.
What is the InChIKey of 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
The InChIKey is IRUDNDDGFLIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-10-19-11-9-18-13-16(7-2,8-3)17-12-15(18)14(4)5/h1,14-15,17H,7-13H2,2-5H3.
What are the key properties of 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine?
5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine has a molecular weight of 282.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine is sourced from PubChem (CID 106432749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).