N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

C15H32IN3O2S — CID 109452560

IUPACN-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCS(=O)(=O)C(C)(C)C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H31N3O2S.HI/c1-13(2,3)21(19,20)10-9-17-12(16-8)18-11-14(4,5)15(18,6)7;/h9-11H2,1-8H3,(H,16,17);1H
InChIKeyLMUKOPRJRJUQGW-UHFFFAOYSA-N
MW445.41 g/mol
LogP2.51
Rot. Bonds3

About N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109452560) has the molecular formula C15H32IN3O2S and a molecular weight of 445.41 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109452560
Molecular FormulaC15H32IN3O2S
Molecular Weight445.41 g/mol
Exact Mass445.13
IUPAC NameN-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCS(=O)(=O)C(C)(C)C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H31N3O2S.HI/c1-13(2,3)21(19,20)10-9-17-12(16-8)18-11-14(4,5)15(18,6)7;/h9-11H2,1-8H3,(H,16,17);1H
InChIKeyLMUKOPRJRJUQGW-UHFFFAOYSA-N
XLogP2.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 52.51
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-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (CID 109452560) is N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is C/N=C(\NCCS(=O)(=O)C(C)(C)C)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is LMUKOPRJRJUQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S.HI/c1-13(2,3)21(19,20)10-9-17-12(16-8)18-11-14(4,5)15(18,6)7;/h9-11H2,1-8H3,(H,16,17);1H.
What are the key properties of N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 445.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).