4-(2-iodoethyl)piperazine-1-sulfonamide

C6H14IN3O2S — CID 130891491

IUPAC4-(2-iodoethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(CCI)CC1
InChIInChI=1S/C6H14IN3O2S/c7-1-2-9-3-5-10(6-4-9)13(8,11)12/h1-6H2,(H2,8,11,12)
InChIKeyYZDJKAPSAGNEOX-UHFFFAOYSA-N
MW319.17 g/mol
LogP-0.76
Rot. Bonds3

About 4-(2-iodoethyl)piperazine-1-sulfonamide

4-(2-iodoethyl)piperazine-1-sulfonamide (PubChem CID 130891491) has the molecular formula C6H14IN3O2S and a molecular weight of 319.17 g/mol. Its IUPAC name is 4-(2-iodoethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-iodoethyl)piperazine-1-sulfonamide
PubChem CID130891491
Molecular FormulaC6H14IN3O2S
Molecular Weight319.17 g/mol
Exact Mass318.99
IUPAC Name4-(2-iodoethyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(CCI)CC1
InChIInChI=1S/C6H14IN3O2S/c7-1-2-9-3-5-10(6-4-9)13(8,11)12/h1-6H2,(H2,8,11,12)
InChIKeyYZDJKAPSAGNEOX-UHFFFAOYSA-N
XLogP-0.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-iodoethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-iodoethyl)piperazine-1-sulfonamide (CID 130891491) is 4-(2-iodoethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-iodoethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-iodoethyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(CCI)CC1.
What is the InChIKey of 4-(2-iodoethyl)piperazine-1-sulfonamide?
The InChIKey is YZDJKAPSAGNEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN3O2S/c7-1-2-9-3-5-10(6-4-9)13(8,11)12/h1-6H2,(H2,8,11,12).
What are the key properties of 4-(2-iodoethyl)piperazine-1-sulfonamide?
4-(2-iodoethyl)piperazine-1-sulfonamide has a molecular weight of 319.17 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 130891491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).