N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine

C8H19IN2O2S — CID 154708387

IUPACN-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)S(=O)(=O)N(C)I
InChIInChI=1S/C8H19IN2O2S/c1-7(2)6-8(3)10(4)14(12,13)11(5)9/h7-8H,6H2,1-5H3
InChIKeyYGFNDUQNVYPUGU-UHFFFAOYSA-N
MW334.22 g/mol
LogP1.88
Rot. Bonds5

About N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine

N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine (PubChem CID 154708387) has the molecular formula C8H19IN2O2S and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine
PubChem CID154708387
Molecular FormulaC8H19IN2O2S
Molecular Weight334.22 g/mol
Exact Mass334.02
IUPAC NameN-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)S(=O)(=O)N(C)I
InChIInChI=1S/C8H19IN2O2S/c1-7(2)6-8(3)10(4)14(12,13)11(5)9/h7-8H,6H2,1-5H3
InChIKeyYGFNDUQNVYPUGU-UHFFFAOYSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine 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-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine (CID 154708387) is N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine is CC(C)CC(C)N(C)S(=O)(=O)N(C)I.
What is the InChIKey of N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine?
The InChIKey is YGFNDUQNVYPUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19IN2O2S/c1-7(2)6-8(3)10(4)14(12,13)11(5)9/h7-8H,6H2,1-5H3.
What are the key properties of N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine?
N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine has a molecular weight of 334.22 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[iodo(methyl)sulfamoyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 154708387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).