1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine

C10H22N2O2S — CID 59148133

IUPAC1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine
SMILESCC(C)(C)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9-11-5-7-12(8-6-11)15(4,13)14/h5-9H2,1-4H3
InChIKeySZLZDIMWIZYEFL-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.61
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine

1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine (PubChem CID 59148133) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine
PubChem CID59148133
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine
SMILESCC(C)(C)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9-11-5-7-12(8-6-11)15(4,13)14/h5-9H2,1-4H3
InChIKeySZLZDIMWIZYEFL-UHFFFAOYSA-N
XLogP0.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine 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-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine (CID 59148133) is 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine is CC(C)(C)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine?
The InChIKey is SZLZDIMWIZYEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)9-11-5-7-12(8-6-11)15(4,13)14/h5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine?
1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine has a molecular weight of 234.36 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 59148133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).