1-methyl-4-methylsulfanylpiperazine

C6H14N2S — CID 91609494

IUPAC1-methyl-4-methylsulfanylpiperazine
SMILESCSN1CCN(C)CC1
InChIInChI=1S/C6H14N2S/c1-7-3-5-8(9-2)6-4-7/h3-6H2,1-2H3
InChIKeyQLQBAKLCYXZNSL-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.51
Rot. Bonds1

About 1-methyl-4-methylsulfanylpiperazine

1-methyl-4-methylsulfanylpiperazine (PubChem CID 91609494) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 1-methyl-4-methylsulfanylpiperazine.

Molecular Properties

Compound Name1-methyl-4-methylsulfanylpiperazine
PubChem CID91609494
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name1-methyl-4-methylsulfanylpiperazine
SMILESCSN1CCN(C)CC1
InChIInChI=1S/C6H14N2S/c1-7-3-5-8(9-2)6-4-7/h3-6H2,1-2H3
InChIKeyQLQBAKLCYXZNSL-UHFFFAOYSA-N
XLogP0.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfanylpiperazine?
The IUPAC name of 1-methyl-4-methylsulfanylpiperazine (CID 91609494) is 1-methyl-4-methylsulfanylpiperazine.
What is the SMILES notation for 1-methyl-4-methylsulfanylpiperazine?
The canonical SMILES for 1-methyl-4-methylsulfanylpiperazine is CSN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-methylsulfanylpiperazine?
The InChIKey is QLQBAKLCYXZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-7-3-5-8(9-2)6-4-7/h3-6H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfanylpiperazine?
1-methyl-4-methylsulfanylpiperazine has a molecular weight of 146.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfanylpiperazine is sourced from PubChem (CID 91609494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).