[iodosulfamoyl(methyl)amino]ethane

C3H9IN2O2S — CID 153020672

IUPAC[iodosulfamoyl(methyl)amino]ethane
SMILESCCN(C)S(=O)(=O)NI
InChIInChI=1S/C3H9IN2O2S/c1-3-6(2)9(7,8)5-4/h5H,3H2,1-2H3
InChIKeyVBWJIIAWIYEKMW-UHFFFAOYSA-N
MW264.09 g/mol
LogP0.12
Rot. Bonds3

About [iodosulfamoyl(methyl)amino]ethane

[iodosulfamoyl(methyl)amino]ethane (PubChem CID 153020672) has the molecular formula C3H9IN2O2S and a molecular weight of 264.09 g/mol. Its IUPAC name is [iodosulfamoyl(methyl)amino]ethane.

Molecular Properties

Compound Name[iodosulfamoyl(methyl)amino]ethane
PubChem CID153020672
Molecular FormulaC3H9IN2O2S
Molecular Weight264.09 g/mol
Exact Mass263.94
IUPAC Name[iodosulfamoyl(methyl)amino]ethane
SMILESCCN(C)S(=O)(=O)NI
InChIInChI=1S/C3H9IN2O2S/c1-3-6(2)9(7,8)5-4/h5H,3H2,1-2H3
InChIKeyVBWJIIAWIYEKMW-UHFFFAOYSA-N
XLogP0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [iodosulfamoyl(methyl)amino]ethane?
The IUPAC name of [iodosulfamoyl(methyl)amino]ethane (CID 153020672) is [iodosulfamoyl(methyl)amino]ethane.
What is the SMILES notation for [iodosulfamoyl(methyl)amino]ethane?
The canonical SMILES for [iodosulfamoyl(methyl)amino]ethane is CCN(C)S(=O)(=O)NI.
What is the InChIKey of [iodosulfamoyl(methyl)amino]ethane?
The InChIKey is VBWJIIAWIYEKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9IN2O2S/c1-3-6(2)9(7,8)5-4/h5H,3H2,1-2H3.
What are the key properties of [iodosulfamoyl(methyl)amino]ethane?
[iodosulfamoyl(methyl)amino]ethane has a molecular weight of 264.09 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [iodosulfamoyl(methyl)amino]ethane is sourced from PubChem (CID 153020672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).