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

C14H30IN3O2S — CID 109452150

IUPACN',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)(C)S(C)(=O)=O)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H29N3O2S.HI/c1-12(2)10-17(14(12,5)6)11(15-7)16-9-13(3,4)20(8,18)19;/h9-10H2,1-8H3,(H,15,16);1H
InChIKeyAAGHGMFJMWLDPB-UHFFFAOYSA-N
MW431.38 g/mol
LogP2.12
Rot. Bonds3

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

N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109452150) has the molecular formula C14H30IN3O2S and a molecular weight of 431.38 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109452150
Molecular FormulaC14H30IN3O2S
Molecular Weight431.38 g/mol
Exact Mass431.11
IUPAC NameN',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)(C)S(C)(=O)=O)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H29N3O2S.HI/c1-12(2)10-17(14(12,5)6)11(15-7)16-9-13(3,4)20(8,18)19;/h9-10H2,1-8H3,(H,15,16);1H
InChIKeyAAGHGMFJMWLDPB-UHFFFAOYSA-N
XLogP2.12
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide (CID 109452150) is N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C)(C)S(C)(=O)=O)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is AAGHGMFJMWLDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S.HI/c1-12(2)10-17(14(12,5)6)11(15-7)16-9-13(3,4)20(8,18)19;/h9-10H2,1-8H3,(H,15,16);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 431.38 g/mol, XLogP of 2.12, 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-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).