1-iodo-4-methylsulfonylpiperazine

C5H11IN2O2S — CID 129191929

IUPAC1-iodo-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(I)CC1
InChIInChI=1S/C5H11IN2O2S/c1-11(9,10)8-4-2-7(6)3-5-8/h2-5H2,1H3
InChIKeyWBXHZEKQFVTUCW-UHFFFAOYSA-N
MW290.13 g/mol
LogP-0.09
Rot. Bonds1

About 1-iodo-4-methylsulfonylpiperazine

1-iodo-4-methylsulfonylpiperazine (PubChem CID 129191929) has the molecular formula C5H11IN2O2S and a molecular weight of 290.13 g/mol. Its IUPAC name is 1-iodo-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-iodo-4-methylsulfonylpiperazine
PubChem CID129191929
Molecular FormulaC5H11IN2O2S
Molecular Weight290.13 g/mol
Exact Mass289.96
IUPAC Name1-iodo-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(I)CC1
InChIInChI=1S/C5H11IN2O2S/c1-11(9,10)8-4-2-7(6)3-5-8/h2-5H2,1H3
InChIKeyWBXHZEKQFVTUCW-UHFFFAOYSA-N
XLogP-0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methylsulfonylpiperazine?
The IUPAC name of 1-iodo-4-methylsulfonylpiperazine (CID 129191929) is 1-iodo-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-iodo-4-methylsulfonylpiperazine?
The canonical SMILES for 1-iodo-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(I)CC1.
What is the InChIKey of 1-iodo-4-methylsulfonylpiperazine?
The InChIKey is WBXHZEKQFVTUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN2O2S/c1-11(9,10)8-4-2-7(6)3-5-8/h2-5H2,1H3.
What are the key properties of 1-iodo-4-methylsulfonylpiperazine?
1-iodo-4-methylsulfonylpiperazine has a molecular weight of 290.13 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methylsulfonylpiperazine is sourced from PubChem (CID 129191929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).