2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane

C8H19IN2O2S — CID 154708388

IUPAC2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane
SMILESCNS(=O)(=O)N(C)C(C)CC(C)(C)I
InChIInChI=1S/C8H19IN2O2S/c1-7(6-8(2,3)9)11(5)14(12,13)10-4/h7,10H,6H2,1-5H3
InChIKeyUOFAOWJKTVWWLN-UHFFFAOYSA-N
MW334.22 g/mol
LogP1.37
Rot. Bonds5

About 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane

2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane (PubChem CID 154708388) has the molecular formula C8H19IN2O2S and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane.

Molecular Properties

Compound Name2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane
PubChem CID154708388
Molecular FormulaC8H19IN2O2S
Molecular Weight334.22 g/mol
Exact Mass334.02
IUPAC Name2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane
SMILESCNS(=O)(=O)N(C)C(C)CC(C)(C)I
InChIInChI=1S/C8H19IN2O2S/c1-7(6-8(2,3)9)11(5)14(12,13)10-4/h7,10H,6H2,1-5H3
InChIKeyUOFAOWJKTVWWLN-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 51.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane?
The IUPAC name of 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane (CID 154708388) is 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane.
What is the SMILES notation for 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane?
The canonical SMILES for 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane is CNS(=O)(=O)N(C)C(C)CC(C)(C)I.
What is the InChIKey of 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane?
The InChIKey is UOFAOWJKTVWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19IN2O2S/c1-7(6-8(2,3)9)11(5)14(12,13)10-4/h7,10H,6H2,1-5H3.
What are the key properties of 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane?
2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane has a molecular weight of 334.22 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-methyl-4-[methyl(methylsulfamoyl)amino]pentane is sourced from PubChem (CID 154708388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).