N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide

C4H7I2NOS — CID 90436891

IUPACN-(iodomethyl)-2-(iodomethylsulfanyl)acetamide
SMILESO=C(CSCI)NCI
InChIInChI=1S/C4H7I2NOS/c5-2-7-4(8)1-9-3-6/h1-3H2,(H,7,8)
InChIKeyAGSZJWSPCOPJSE-UHFFFAOYSA-N
MW370.98 g/mol
LogP1.62
Rot. Bonds4

About N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide

N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide (PubChem CID 90436891) has the molecular formula C4H7I2NOS and a molecular weight of 370.98 g/mol. Its IUPAC name is N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(iodomethyl)-2-(iodomethylsulfanyl)acetamide
PubChem CID90436891
Molecular FormulaC4H7I2NOS
Molecular Weight370.98 g/mol
Exact Mass370.83
IUPAC NameN-(iodomethyl)-2-(iodomethylsulfanyl)acetamide
SMILESO=C(CSCI)NCI
InChIInChI=1S/C4H7I2NOS/c5-2-7-4(8)1-9-3-6/h1-3H2,(H,7,8)
InChIKeyAGSZJWSPCOPJSE-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.98
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide 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 N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide?
The IUPAC name of N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide (CID 90436891) is N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide.
What is the SMILES notation for N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide?
The canonical SMILES for N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide is O=C(CSCI)NCI.
What is the InChIKey of N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide?
The InChIKey is AGSZJWSPCOPJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I2NOS/c5-2-7-4(8)1-9-3-6/h1-3H2,(H,7,8).
What are the key properties of N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide?
N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide has a molecular weight of 370.98 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-2-(iodomethylsulfanyl)acetamide is sourced from PubChem (CID 90436891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).