N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine

C11H20N2OS — CID 136696675

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine
SMILESCOC1CC(/N=C2/NC(C)CS2)C1(C)C
InChIInChI=1S/C11H20N2OS/c1-7-6-15-10(12-7)13-8-5-9(14-4)11(8,2)3/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyMDJSCBXUGATFKG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds2

About N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine

N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 136696675) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine
PubChem CID136696675
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine
SMILESCOC1CC(/N=C2/NC(C)CS2)C1(C)C
InChIInChI=1S/C11H20N2OS/c1-7-6-15-10(12-7)13-8-5-9(14-4)11(8,2)3/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyMDJSCBXUGATFKG-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696672
N-cyclopropyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934531
4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine
CID 137000795
N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934589
N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696683
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136696721
4-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-thiazolidin-2-imine
CID 136811861
N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948856
2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine
CID 122081780
N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
CID 137010908
1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
CID 103741947
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine (CID 136696675) is N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine is COC1CC(/N=C2/NC(C)CS2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is MDJSCBXUGATFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-7-6-15-10(12-7)13-8-5-9(14-4)11(8,2)3/h7-9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 228.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136696675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).