1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine

C10H22N2S — CID 131114155

IUPAC1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CC(C)N(C)CC1C
InChIInChI=1S/C10H22N2S/c1-9-8-12(5-6-13-4)10(2)7-11(9)3/h9-10H,5-8H2,1-4H3
InChIKeyXCSOUBNAWNCFOE-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.37
Rot. Bonds3

About 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine

1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine (PubChem CID 131114155) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine
PubChem CID131114155
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CC(C)N(C)CC1C
InChIInChI=1S/C10H22N2S/c1-9-8-12(5-6-13-4)10(2)7-11(9)3/h9-10H,5-8H2,1-4H3
InChIKeyXCSOUBNAWNCFOE-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[2-(methylsulfanyl)ethyl]piperazine
CID 118263086
1-Methyl-4-(4-(methylsulfanyl)butyl)piperazine
CID 145867183
1-Ethyl-4-(tetrahydro-3-thienyl)piperazine
CID 3838410
1-[(Ethylsulfanyl)methyl]-4-methylpiperazine
CID 258668
(1,4-Dimethylpiperazin-2-yl)methanethiol
CID 15318058
1-(2-Ethylsulfanylethyl)-1,4-dimethylpiperazin-1-ium
CID 91034346
1,4-Bis(ethylsulfanylmethyl)-2,5-dimethylpiperazine
CID 232724
1,4-Bis(ethylsulfanylmethyl)-2-methylpiperazine
CID 269719
1-Methyl-4-(tetrahydro-3-thienyl)piperazine
CID 2849469
(1R)-1-[(2R)-1,4-dimethylpiperazin-2-yl]ethanethiol
CID 15318061
[(2R,5R)-1,4-dimethyl-5-(sulfanylmethyl)piperazin-2-yl]methanethiol
CID 125498897
1-(2-Mercaptopropyl)-4-methylpiperazine
CID 13049112

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine (CID 131114155) is 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine is CSCCN1CC(C)N(C)CC1C.
What is the InChIKey of 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine?
The InChIKey is XCSOUBNAWNCFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9-8-12(5-6-13-4)10(2)7-11(9)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine?
1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine has a molecular weight of 202.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 131114155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).