1-methyl-4-(2-methylsulfanylethyl)piperazine

C8H18N2S — CID 118263086

IUPAC1-methyl-4-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CCN(C)CC1
InChIInChI=1S/C8H18N2S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-8H2,1-2H3
InChIKeyDNBKGKYSVPBXFV-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.60
Rot. Bonds3

About 1-methyl-4-(2-methylsulfanylethyl)piperazine

1-methyl-4-(2-methylsulfanylethyl)piperazine (PubChem CID 118263086) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-methyl-4-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-methylsulfanylethyl)piperazine
PubChem CID118263086
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-methyl-4-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CCN(C)CC1
InChIInChI=1S/C8H18N2S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-8H2,1-2H3
InChIKeyDNBKGKYSVPBXFV-UHFFFAOYSA-N
XLogP0.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 1-methyl-4-(2-methylsulfanylethyl)piperazine (CID 118263086) is 1-methyl-4-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-methylsulfanylethyl)piperazine is CSCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylsulfanylethyl)piperazine?
The InChIKey is DNBKGKYSVPBXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-9-3-5-10(6-4-9)7-8-11-2/h3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylsulfanylethyl)piperazine?
1-methyl-4-(2-methylsulfanylethyl)piperazine has a molecular weight of 174.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 118263086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).