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

C12H25N3S — CID 109452641

IUPACN',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCSC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H25N3S/c1-11(2)9-15(12(11,3)4)10(13-5)14-7-8-16-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyNNQSOWSDQUFZDW-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.05
Rot. Bonds3

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

N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide (PubChem CID 109452641) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide
PubChem CID109452641
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC NameN',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCSC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H25N3S/c1-11(2)9-15(12(11,3)4)10(13-5)14-7-8-16-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyNNQSOWSDQUFZDW-UHFFFAOYSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.05
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',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109451802
N',2,2,3,3-pentamethyl-N-(2-methylsulfonylethyl)azetidine-1-carboximidamide
CID 109451803
N-(2-ethylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451850
N-(2-ethylsulfonylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451851
N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109452044
N-ethyl-N'-(2-ethylsulfonylethyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452045
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452094
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfonylethyl)azetidine-1-carboximidamide
CID 109452095
N',2,2,3,3-pentamethyl-N-(2-methyl-2-methylsulfonylpropyl)azetidine-1-carboximidamide
CID 109452151
N',2,2,3,3-pentamethyl-N-(3-methylsulfonylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452220
N',2,2,3,3-pentamethyl-N-(3-methylsulfonylpropyl)azetidine-1-carboximidamide
CID 109452221
N',2,2,3,3-pentamethyl-N-propylazetidine-1-carboximidamide;hydroiodide
CID 109452280

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide (CID 109452641) is N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide is C/N=C(\NCCSC)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
The InChIKey is NNQSOWSDQUFZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-11(2)9-15(12(11,3)4)10(13-5)14-7-8-16-6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide has a molecular weight of 243.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-(2-methylsulfanylethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109452641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).