N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide

C16H33IN4O2S2 — CID 109451982

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H32N4O2S2.HI/c1-6-17-14(20-13-15(2,3)16(20,4)5)18-7-12-24(21,22)19-8-10-23-11-9-19;/h6-13H2,1-5H3,(H,17,18);1H
InChIKeyDZXPOHWGFLZBLD-UHFFFAOYSA-N
MW504.50 g/mol
LogP2.07
Rot. Bonds5

About N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109451982) has the molecular formula C16H33IN4O2S2 and a molecular weight of 504.50 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109451982
Molecular FormulaC16H33IN4O2S2
Molecular Weight504.50 g/mol
Exact Mass504.11
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H32N4O2S2.HI/c1-6-17-14(20-13-15(2,3)16(20,4)5)18-7-12-24(21,22)19-8-10-23-11-9-19;/h6-13H2,1-5H3,(H,17,18);1H
InChIKeyDZXPOHWGFLZBLD-UHFFFAOYSA-N
XLogP2.07
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide (CID 109451982) is N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is DZXPOHWGFLZBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2S2.HI/c1-6-17-14(20-13-15(2,3)16(20,4)5)18-7-12-24(21,22)19-8-10-23-11-9-19;/h6-13H2,1-5H3,(H,17,18);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 504.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).