N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide

C13H27N3S — CID 109453196

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide
SMILESCCN/C(=N\CCSC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C13H27N3S/c1-7-14-11(15-8-9-17-6)16-10-12(2,3)13(16,4)5/h7-10H2,1-6H3,(H,14,15)
InChIKeyMDTOECNMUZKNEG-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.44
Rot. Bonds4

About N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide

N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide (PubChem CID 109453196) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide
PubChem CID109453196
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide
SMILESCCN/C(=N\CCSC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C13H27N3S/c1-7-14-11(15-8-9-17-6)16-10-12(2,3)13(16,4)5/h7-10H2,1-6H3,(H,14,15)
InChIKeyMDTOECNMUZKNEG-UHFFFAOYSA-N
XLogP2.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109454088
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452094
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454087
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide
CID 109453088
N'-[3-(dimethylamino)propyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454083
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109452355
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452093
N-ethyl-N'-[3-(2-methoxyethoxy)propyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453162
N,N-diethyl-3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 109453823
methyl 7-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]heptanoate
CID 109452409
N-ethyl-2,2,3,3-tetramethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109454355
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide (CID 109453196) is N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide is CCN/C(=N\CCSC)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
The InChIKey is MDTOECNMUZKNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-7-14-11(15-8-9-17-6)16-10-12(2,3)13(16,4)5/h7-10H2,1-6H3,(H,14,15).
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide has a molecular weight of 257.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109453196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).