1-methyl-4-methylsulfinylpiperazine

C6H14N2OS — CID 23530689

IUPAC1-methyl-4-methylsulfinylpiperazine
SMILESCN1CCN(S(C)=O)CC1
InChIInChI=1S/C6H14N2OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H2,1-2H3
InChIKeyIKULEWGSUBVJJN-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.47
Rot. Bonds1

About 1-methyl-4-methylsulfinylpiperazine

1-methyl-4-methylsulfinylpiperazine (PubChem CID 23530689) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-methyl-4-methylsulfinylpiperazine.

Molecular Properties

Compound Name1-methyl-4-methylsulfinylpiperazine
PubChem CID23530689
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name1-methyl-4-methylsulfinylpiperazine
SMILESCN1CCN(S(C)=O)CC1
InChIInChI=1S/C6H14N2OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H2,1-2H3
InChIKeyIKULEWGSUBVJJN-UHFFFAOYSA-N
XLogP-0.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfinylpiperazine?
The IUPAC name of 1-methyl-4-methylsulfinylpiperazine (CID 23530689) is 1-methyl-4-methylsulfinylpiperazine.
What is the SMILES notation for 1-methyl-4-methylsulfinylpiperazine?
The canonical SMILES for 1-methyl-4-methylsulfinylpiperazine is CN1CCN(S(C)=O)CC1.
What is the InChIKey of 1-methyl-4-methylsulfinylpiperazine?
The InChIKey is IKULEWGSUBVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfinylpiperazine?
1-methyl-4-methylsulfinylpiperazine has a molecular weight of 162.26 g/mol, XLogP of -0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfinylpiperazine is sourced from PubChem (CID 23530689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).