N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C13H22N2O2S — CID 136730401

IUPACN-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1OCCC1(C)/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C13H22N2O2S/c1-10-12(2,3-8-17-10)14-11-15-13(9-18-11)4-6-16-7-5-13/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyLLTOQKRRAWTFBS-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.80
Rot. Bonds1

About N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136730401) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136730401
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1OCCC1(C)/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C13H22N2O2S/c1-10-12(2,3-8-17-10)14-11-15-13(9-18-11)4-6-16-7-5-13/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyLLTOQKRRAWTFBS-UHFFFAOYSA-N
XLogP1.80
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethyloxolan-3-yl)-8-oxa-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-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136730401) is N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CC1OCCC1(C)/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is LLTOQKRRAWTFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-12(2,3-8-17-10)14-11-15-13(9-18-11)4-6-16-7-5-13/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 270.40 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyloxolan-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136730401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).