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

C9H20N2O2S — CID 62734994

IUPAC1-methyl-4-(2-methylpropylsulfonyl)piperazine
SMILESCC(C)CS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2)8-14(12,13)11-6-4-10(3)5-7-11/h9H,4-8H2,1-3H3
InChIKeyCSRDFQGODFMPQJ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.22
Rot. Bonds3

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

1-methyl-4-(2-methylpropylsulfonyl)piperazine (PubChem CID 62734994) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropylsulfonyl)piperazine
PubChem CID62734994
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-methyl-4-(2-methylpropylsulfonyl)piperazine
SMILESCC(C)CS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2)8-14(12,13)11-6-4-10(3)5-7-11/h9H,4-8H2,1-3H3
InChIKeyCSRDFQGODFMPQJ-UHFFFAOYSA-N
XLogP0.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(2-methylpropylsulfonyl)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-methyl-4-(2-methylpropylsulfonyl)piperazine?
The IUPAC name of 1-methyl-4-(2-methylpropylsulfonyl)piperazine (CID 62734994) is 1-methyl-4-(2-methylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-methylpropylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-methylpropylsulfonyl)piperazine is CC(C)CS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropylsulfonyl)piperazine?
The InChIKey is CSRDFQGODFMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2)8-14(12,13)11-6-4-10(3)5-7-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropylsulfonyl)piperazine?
1-methyl-4-(2-methylpropylsulfonyl)piperazine has a molecular weight of 220.34 g/mol, XLogP of 0.22, 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-methylpropylsulfonyl)piperazine is sourced from PubChem (CID 62734994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).