5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine

C13H28N2S — CID 64940459

IUPAC5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCSC)C(C(C)C)CN1
InChIInChI=1S/C13H28N2S/c1-6-13(4)10-15(7-8-16-5)12(9-14-13)11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyWDTVOUYOFQYOHJ-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds5

About 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine (PubChem CID 64940459) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
PubChem CID64940459
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCSC)C(C(C)C)CN1
InChIInChI=1S/C13H28N2S/c1-6-13(4)10-15(7-8-16-5)12(9-14-13)11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyWDTVOUYOFQYOHJ-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64945561
5-ethyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170433
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine (CID 64940459) is 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine is CCC1(C)CN(CCSC)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The InChIKey is WDTVOUYOFQYOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-6-13(4)10-15(7-8-16-5)12(9-14-13)11(2)3/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine has a molecular weight of 244.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64940459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).