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

C15H31IN4O2S2 — CID 109451750

IUPACN',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H30N4O2S2.HI/c1-14(2)12-19(15(14,3)4)13(16-5)17-6-11-23(20,21)18-7-9-22-10-8-18;/h6-12H2,1-5H3,(H,16,17);1H
InChIKeyXNELDXMIGBJRHP-UHFFFAOYSA-N
MW490.48 g/mol
LogP1.68
Rot. Bonds4

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

N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109451750) has the molecular formula C15H31IN4O2S2 and a molecular weight of 490.48 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109451750
Molecular FormulaC15H31IN4O2S2
Molecular Weight490.48 g/mol
Exact Mass490.09
IUPAC NameN',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H30N4O2S2.HI/c1-14(2)12-19(15(14,3)4)13(16-5)17-6-11-23(20,21)18-7-9-22-10-8-18;/h6-12H2,1-5H3,(H,16,17);1H
InChIKeyXNELDXMIGBJRHP-UHFFFAOYSA-N
XLogP1.68
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 51.68
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',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide (CID 109451750) is N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is XNELDXMIGBJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2S2.HI/c1-14(2)12-19(15(14,3)4)13(16-5)17-6-11-23(20,21)18-7-9-22-10-8-18;/h6-12H2,1-5H3,(H,16,17);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 490.48 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).