N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

C16H35IN4O2S — CID 109451980

IUPACN'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H34N4O2S.HI/c1-8-17-14(20-13-15(4,5)16(20,6)7)18-11-12-23(21,22)19(9-2)10-3;/h8-13H2,1-7H3,(H,17,18);1H
InChIKeyDWUHMBSBKAVUJJ-UHFFFAOYSA-N
MW474.45 g/mol
LogP2.36
Rot. Bonds7

About N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109451980) has the molecular formula C16H35IN4O2S and a molecular weight of 474.45 g/mol. Its IUPAC name is N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109451980
Molecular FormulaC16H35IN4O2S
Molecular Weight474.45 g/mol
Exact Mass474.15
IUPAC NameN'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H34N4O2S.HI/c1-8-17-14(20-13-15(4,5)16(20,6)7)18-11-12-23(21,22)19(9-2)10-3;/h8-13H2,1-7H3,(H,17,18);1H
InChIKeyDWUHMBSBKAVUJJ-UHFFFAOYSA-N
XLogP2.36
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (CID 109451980) is N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is DWUHMBSBKAVUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2S.HI/c1-8-17-14(20-13-15(4,5)16(20,6)7)18-11-12-23(21,22)19(9-2)10-3;/h8-13H2,1-7H3,(H,17,18);1H.
What are the key properties of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 474.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).