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

C14H30IN3O2S — CID 109452044

IUPACN-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)CC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H29N3O2S.HI/c1-7-15-12(16-9-10-20(18,19)8-2)17-11-13(3,4)14(17,5)6;/h7-11H2,1-6H3,(H,15,16);1H
InChIKeyVTYPKYIBSVTJAT-UHFFFAOYSA-N
MW431.38 g/mol
LogP2.12
Rot. Bonds5

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

N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109452044) has the molecular formula C14H30IN3O2S and a molecular weight of 431.38 g/mol. Its IUPAC name is N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109452044
Molecular FormulaC14H30IN3O2S
Molecular Weight431.38 g/mol
Exact Mass431.11
IUPAC NameN-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)CC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H29N3O2S.HI/c1-7-15-12(16-9-10-20(18,19)8-2)17-11-13(3,4)14(17,5)6;/h7-11H2,1-6H3,(H,15,16);1H
InChIKeyVTYPKYIBSVTJAT-UHFFFAOYSA-N
XLogP2.12
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 52.12
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-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (CID 109452044) is N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)CC)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is VTYPKYIBSVTJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S.HI/c1-7-15-12(16-9-10-20(18,19)8-2)17-11-13(3,4)14(17,5)6;/h7-11H2,1-6H3,(H,15,16);1H.
What are the key properties of N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 431.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).