1-(iodomethyl)azetidine-3-sulfonamide

C4H9IN2O2S — CID 137380159

IUPAC1-(iodomethyl)azetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(CI)C1
InChIInChI=1S/C4H9IN2O2S/c5-3-7-1-4(2-7)10(6,8)9/h4H,1-3H2,(H2,6,8,9)
InChIKeyDFYXGRCDAIAPRI-UHFFFAOYSA-N
MW276.10 g/mol
LogP-0.65
Rot. Bonds2

About 1-(iodomethyl)azetidine-3-sulfonamide

1-(iodomethyl)azetidine-3-sulfonamide (PubChem CID 137380159) has the molecular formula C4H9IN2O2S and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-(iodomethyl)azetidine-3-sulfonamide.

Molecular Properties

Compound Name1-(iodomethyl)azetidine-3-sulfonamide
PubChem CID137380159
Molecular FormulaC4H9IN2O2S
Molecular Weight276.10 g/mol
Exact Mass275.94
IUPAC Name1-(iodomethyl)azetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(CI)C1
InChIInChI=1S/C4H9IN2O2S/c5-3-7-1-4(2-7)10(6,8)9/h4H,1-3H2,(H2,6,8,9)
InChIKeyDFYXGRCDAIAPRI-UHFFFAOYSA-N
XLogP-0.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 5-0.65
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(iodomethyl)azetidine-3-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 1-(iodomethyl)azetidine-3-sulfonamide?
The IUPAC name of 1-(iodomethyl)azetidine-3-sulfonamide (CID 137380159) is 1-(iodomethyl)azetidine-3-sulfonamide.
What is the SMILES notation for 1-(iodomethyl)azetidine-3-sulfonamide?
The canonical SMILES for 1-(iodomethyl)azetidine-3-sulfonamide is NS(=O)(=O)C1CN(CI)C1.
What is the InChIKey of 1-(iodomethyl)azetidine-3-sulfonamide?
The InChIKey is DFYXGRCDAIAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2O2S/c5-3-7-1-4(2-7)10(6,8)9/h4H,1-3H2,(H2,6,8,9).
What are the key properties of 1-(iodomethyl)azetidine-3-sulfonamide?
1-(iodomethyl)azetidine-3-sulfonamide has a molecular weight of 276.10 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)azetidine-3-sulfonamide is sourced from PubChem (CID 137380159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).