8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine

C15H26N2OS — CID 136905813

IUPAC8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)CS/C(=N\CC1CCOC1C)N2
InChIInChI=1S/C15H26N2OS/c1-11-3-6-15(7-4-11)10-19-14(17-15)16-9-13-5-8-18-12(13)2/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyJLORIXYEIFSEHZ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.05
Rot. Bonds2

About 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine

8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136905813) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136905813
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)CS/C(=N\CC1CCOC1C)N2
InChIInChI=1S/C15H26N2OS/c1-11-3-6-15(7-4-11)10-19-14(17-15)16-9-13-5-8-18-12(13)2/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyJLORIXYEIFSEHZ-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-N-[(2-methyloxolan-3-yl)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

Related Compounds

N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730395
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917
N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977299
N-[(1-methylpyrrolidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819525
7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998387
N-[(1-methylpiperidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819605
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643
7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136867434
4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803572
2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide
CID 136805738
N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696683
N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696672

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136905813) is 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCC2(CC1)CS/C(=N\CC1CCOC1C)N2.
What is the InChIKey of 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is JLORIXYEIFSEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11-3-6-15(7-4-11)10-19-14(17-15)16-9-13-5-8-18-12(13)2/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 282.45 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136905813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).