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

C14H24N2O2S — CID 136817020

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOC1(C/N=C2/NC3(CCCCC3)CS2)CCOC1
InChIInChI=1S/C14H24N2O2S/c1-17-14(7-8-18-10-14)9-15-12-16-13(11-19-12)5-3-2-4-6-13/h2-11H2,1H3,(H,15,16)
InChIKeyOEEAGNXEAVTZNF-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.19
Rot. Bonds3

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

N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136817020) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136817020
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOC1(C/N=C2/NC3(CCCCC3)CS2)CCOC1
InChIInChI=1S/C14H24N2O2S/c1-17-14(7-8-18-10-14)9-15-12-16-13(11-19-12)5-3-2-4-6-13/h2-11H2,1H3,(H,15,16)
InChIKeyOEEAGNXEAVTZNF-UHFFFAOYSA-N
XLogP2.19
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 137016836
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136933426
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136850069
N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723647
N-(4-methoxy-2,2-dimethylbutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730441
N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977306
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178
N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730382
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819457

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136817020) is N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is COC1(C/N=C2/NC3(CCCCC3)CS2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is OEEAGNXEAVTZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-17-14(7-8-18-10-14)9-15-12-16-13(11-19-12)5-3-2-4-6-13/h2-11H2,1H3,(H,15,16).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 284.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136817020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).