N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide

C11H22I2N2OS — CID 134197607

IUPACN-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide
SMILESCNC(SCC(C)(C)I)C(=O)NCC(C)(C)I
InChIInChI=1S/C11H22I2N2OS/c1-10(2,12)6-15-8(16)9(14-5)17-7-11(3,4)13/h9,14H,6-7H2,1-5H3,(H,15,16)
InChIKeyKDAKTKQPWIOPEO-UHFFFAOYSA-N
MW484.19 g/mol
LogP2.81
Rot. Bonds7

About N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide

N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide (PubChem CID 134197607) has the molecular formula C11H22I2N2OS and a molecular weight of 484.19 g/mol. Its IUPAC name is N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide
PubChem CID134197607
Molecular FormulaC11H22I2N2OS
Molecular Weight484.19 g/mol
Exact Mass483.95
IUPAC NameN-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide
SMILESCNC(SCC(C)(C)I)C(=O)NCC(C)(C)I
InChIInChI=1S/C11H22I2N2OS/c1-10(2,12)6-15-8(16)9(14-5)17-7-11(3,4)13/h9,14H,6-7H2,1-5H3,(H,15,16)
InChIKeyKDAKTKQPWIOPEO-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)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-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide?
The IUPAC name of N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide (CID 134197607) is N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide?
The canonical SMILES for N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide is CNC(SCC(C)(C)I)C(=O)NCC(C)(C)I.
What is the InChIKey of N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide?
The InChIKey is KDAKTKQPWIOPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22I2N2OS/c1-10(2,12)6-15-8(16)9(14-5)17-7-11(3,4)13/h9,14H,6-7H2,1-5H3,(H,15,16).
What are the key properties of N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide?
N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide has a molecular weight of 484.19 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-2-methylpropyl)-2-(2-iodo-2-methylpropyl)sulfanyl-2-(methylamino)acetamide is sourced from PubChem (CID 134197607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).