1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine

C11H24N2O2S — CID 58233980

IUPAC1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine
SMILESCC(C)CN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)9-12-5-7-13(8-6-12)16(14,15)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyVONRNBYNVRIPKM-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds4

About 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine

1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine (PubChem CID 58233980) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine
PubChem CID58233980
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine
SMILESCC(C)CN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)9-12-5-7-13(8-6-12)16(14,15)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyVONRNBYNVRIPKM-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine 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-methylpropyl)-4-propan-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine (CID 58233980) is 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine is CC(C)CN1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine?
The InChIKey is VONRNBYNVRIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)9-12-5-7-13(8-6-12)16(14,15)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine?
1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-propan-2-ylsulfonylpiperazine is sourced from PubChem (CID 58233980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).