N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

C16H34IN3OS — CID 109452382

IUPACN'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)C(C)(C)C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H33N3OS.HI/c1-9-17-13(18-10-11-21(20)14(2,3)4)19-12-15(5,6)16(19,7)8;/h9-12H2,1-8H3,(H,17,18);1H
InChIKeyOJTIIEKFOSZQAX-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.24
Rot. Bonds4

About N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109452382) has the molecular formula C16H34IN3OS and a molecular weight of 443.44 g/mol. Its IUPAC name is N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109452382
Molecular FormulaC16H34IN3OS
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC NameN'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)C(C)(C)C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H33N3OS.HI/c1-9-17-13(18-10-11-21(20)14(2,3)4)19-12-15(5,6)16(19,7)8;/h9-12H2,1-8H3,(H,17,18);1H
InChIKeyOJTIIEKFOSZQAX-UHFFFAOYSA-N
XLogP3.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (CID 109452382) is N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)C(C)(C)C)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is OJTIIEKFOSZQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3OS.HI/c1-9-17-13(18-10-11-21(20)14(2,3)4)19-12-15(5,6)16(19,7)8;/h9-12H2,1-8H3,(H,17,18);1H.
What are the key properties of N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 443.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).