1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine

C8H18N2OS — CID 90195131

IUPAC1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine
SMILESCOCN1CCN(CSC)CC1
InChIInChI=1S/C8H18N2OS/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-8H2,1-2H3
InChIKeyBRSKDGCAYHQOMG-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.53
Rot. Bonds4

About 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine

1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine (PubChem CID 90195131) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine
PubChem CID90195131
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine
SMILESCOCN1CCN(CSC)CC1
InChIInChI=1S/C8H18N2OS/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-8H2,1-2H3
InChIKeyBRSKDGCAYHQOMG-UHFFFAOYSA-N
XLogP0.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine?
The IUPAC name of 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine (CID 90195131) is 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine.
What is the SMILES notation for 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine?
The canonical SMILES for 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine is COCN1CCN(CSC)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine?
The InChIKey is BRSKDGCAYHQOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-8H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine?
1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine has a molecular weight of 190.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(methylsulfanylmethyl)piperazine is sourced from PubChem (CID 90195131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).