4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

C11H16IN3O3S2 — CID 78948394

IUPAC4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C11H16IN3O3S2/c1-13(2)20(17,18)15-5-3-14(4-6-15)11(16)9-7-10(12)19-8-9/h7-8H,3-6H2,1-2H3
InChIKeyPBCYAXQMZNUZPB-UHFFFAOYSA-N
MW429.31 g/mol
LogP0.92
Rot. Bonds3

About 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 78948394) has the molecular formula C11H16IN3O3S2 and a molecular weight of 429.31 g/mol. Its IUPAC name is 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID78948394
Molecular FormulaC11H16IN3O3S2
Molecular Weight429.31 g/mol
Exact Mass428.97
IUPAC Name4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C11H16IN3O3S2/c1-13(2)20(17,18)15-5-3-14(4-6-15)11(16)9-7-10(12)19-8-9/h7-8H,3-6H2,1-2H3
InChIKeyPBCYAXQMZNUZPB-UHFFFAOYSA-N
XLogP0.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide 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 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 78948394) is 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2csc(I)c2)CC1.
What is the InChIKey of 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is PBCYAXQMZNUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O3S2/c1-13(2)20(17,18)15-5-3-14(4-6-15)11(16)9-7-10(12)19-8-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 429.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 78948394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).