N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

C16H28N2OS — CID 136696672

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOC1CC(/N=C2/NC3(CCC(C)CC3)CS2)C1(C)C
InChIInChI=1S/C16H28N2OS/c1-11-5-7-16(8-6-11)10-20-14(18-16)17-12-9-13(19-4)15(12,2)3/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeySFRWMZMEBLZMGW-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.44
Rot. Bonds2

About N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136696672) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136696672
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOC1CC(/N=C2/NC3(CCC(C)CC3)CS2)C1(C)C
InChIInChI=1S/C16H28N2OS/c1-11-5-7-16(8-6-11)10-20-14(18-16)17-12-9-13(19-4)15(12,2)3/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeySFRWMZMEBLZMGW-UHFFFAOYSA-N
XLogP3.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136696672) is N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is COC1CC(/N=C2/NC3(CCC(C)CC3)CS2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is SFRWMZMEBLZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11-5-7-16(8-6-11)10-20-14(18-16)17-12-9-13(19-4)15(12,2)3/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 296.48 g/mol, XLogP of 3.44, 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)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136696672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).