N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide

C12H26IN3O2S — CID 109451802

IUPACN',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCS(C)(=O)=O)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C12H25N3O2S.HI/c1-11(2)9-15(12(11,3)4)10(13-5)14-7-8-18(6,16)17;/h7-9H2,1-6H3,(H,13,14);1H
InChIKeyXABVIDPPDYNDKE-UHFFFAOYSA-N
MW403.33 g/mol
LogP1.34
Rot. Bonds3

About N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109451802) has the molecular formula C12H26IN3O2S and a molecular weight of 403.33 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109451802
Molecular FormulaC12H26IN3O2S
Molecular Weight403.33 g/mol
Exact Mass403.08
IUPAC NameN',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCS(C)(=O)=O)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C12H25N3O2S.HI/c1-11(2)9-15(12(11,3)4)10(13-5)14-7-8-18(6,16)17;/h7-9H2,1-6H3,(H,13,14);1H
InChIKeyXABVIDPPDYNDKE-UHFFFAOYSA-N
XLogP1.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 51.34
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',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide (CID 109451802) is N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCCS(C)(=O)=O)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is XABVIDPPDYNDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.HI/c1-11(2)9-15(12(11,3)4)10(13-5)14-7-8-18(6,16)17;/h7-9H2,1-6H3,(H,13,14);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 403.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).