N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide

C4H9IN2O2S — CID 87778799

IUPACN-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide
SMILESCC1(C)CN1NS(=O)(=O)I
InChIInChI=1S/C4H9IN2O2S/c1-4(2)3-7(4)6-10(5,8)9/h6H,3H2,1-2H3
InChIKeyRSRJXJVEMXYYAH-UHFFFAOYSA-N
MW276.10 g/mol
LogP0.26
Rot. Bonds2

About N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide

N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide (PubChem CID 87778799) has the molecular formula C4H9IN2O2S and a molecular weight of 276.10 g/mol. Its IUPAC name is N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide.

Molecular Properties

Compound NameN-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide
PubChem CID87778799
Molecular FormulaC4H9IN2O2S
Molecular Weight276.10 g/mol
Exact Mass275.94
IUPAC NameN-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide
SMILESCC1(C)CN1NS(=O)(=O)I
InChIInChI=1S/C4H9IN2O2S/c1-4(2)3-7(4)6-10(5,8)9/h6H,3H2,1-2H3
InChIKeyRSRJXJVEMXYYAH-UHFFFAOYSA-N
XLogP0.26
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide?
The IUPAC name of N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide (CID 87778799) is N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide.
What is the SMILES notation for N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide?
The canonical SMILES for N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide is CC1(C)CN1NS(=O)(=O)I.
What is the InChIKey of N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide?
The InChIKey is RSRJXJVEMXYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2O2S/c1-4(2)3-7(4)6-10(5,8)9/h6H,3H2,1-2H3.
What are the key properties of N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide?
N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide has a molecular weight of 276.10 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylaziridin-1-yl)sulfamoyl iodide is sourced from PubChem (CID 87778799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).