1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine

C9H19N3O2S — CID 60723724

IUPAC1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C9H19N3O2S/c1-10-6-8-12(9-7-10)15(13,14)11-4-2-3-5-11/h2-9H2,1H3
InChIKeySZPULFGUASTEAB-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.43
Rot. Bonds2

About 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine

1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 60723724) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID60723724
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C9H19N3O2S/c1-10-6-8-12(9-7-10)15(13,14)11-4-2-3-5-11/h2-9H2,1H3
InChIKeySZPULFGUASTEAB-UHFFFAOYSA-N
XLogP-0.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-pyrrolidin-1-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-methyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine (CID 60723724) is 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine is CN1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is SZPULFGUASTEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-10-6-8-12(9-7-10)15(13,14)11-4-2-3-5-11/h2-9H2,1H3.
What are the key properties of 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine?
1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 233.34 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 60723724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).