N-cyclopropylsulfamoyl iodide

C3H6INO2S — CID 163498537

IUPACN-cyclopropylsulfamoyl iodide
SMILESO=S(=O)(I)NC1CC1
InChIInChI=1S/C3H6INO2S/c4-8(6,7)5-3-1-2-3/h3,5H,1-2H2
InChIKeyCSTSKFFQGUDAEB-UHFFFAOYSA-N
MW247.06 g/mol
LogP0.42
Rot. Bonds2

About N-cyclopropylsulfamoyl iodide

N-cyclopropylsulfamoyl iodide (PubChem CID 163498537) has the molecular formula C3H6INO2S and a molecular weight of 247.06 g/mol. Its IUPAC name is N-cyclopropylsulfamoyl iodide.

Molecular Properties

Compound NameN-cyclopropylsulfamoyl iodide
PubChem CID163498537
Molecular FormulaC3H6INO2S
Molecular Weight247.06 g/mol
Exact Mass246.92
IUPAC NameN-cyclopropylsulfamoyl iodide
SMILESO=S(=O)(I)NC1CC1
InChIInChI=1S/C3H6INO2S/c4-8(6,7)5-3-1-2-3/h3,5H,1-2H2
InChIKeyCSTSKFFQGUDAEB-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfamoyl iodide?
The IUPAC name of N-cyclopropylsulfamoyl iodide (CID 163498537) is N-cyclopropylsulfamoyl iodide.
What is the SMILES notation for N-cyclopropylsulfamoyl iodide?
The canonical SMILES for N-cyclopropylsulfamoyl iodide is O=S(=O)(I)NC1CC1.
What is the InChIKey of N-cyclopropylsulfamoyl iodide?
The InChIKey is CSTSKFFQGUDAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6INO2S/c4-8(6,7)5-3-1-2-3/h3,5H,1-2H2.
What are the key properties of N-cyclopropylsulfamoyl iodide?
N-cyclopropylsulfamoyl iodide has a molecular weight of 247.06 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfamoyl iodide is sourced from PubChem (CID 163498537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).