5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine

C14H30N2S — CID 64942397

IUPAC5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(CCSC)C(C(C)C)CN1
InChIInChI=1S/C14H30N2S/c1-6-14(7-2)11-16(8-9-17-5)13(10-15-14)12(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyWMLKINWOFIBCGJ-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds6

About 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine

5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine (PubChem CID 64942397) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
PubChem CID64942397
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(CCSC)C(C(C)C)CN1
InChIInChI=1S/C14H30N2S/c1-6-14(7-2)11-16(8-9-17-5)13(10-15-14)12(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyWMLKINWOFIBCGJ-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

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Related Compounds

5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432749
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
2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
CID 113474584
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
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine (CID 64942397) is 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine is CCC1(CC)CN(CCSC)C(C(C)C)CN1.
What is the InChIKey of 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The InChIKey is WMLKINWOFIBCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-6-14(7-2)11-16(8-9-17-5)13(10-15-14)12(3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine 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 5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64942397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).