N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C13H24N2O2S — CID 136730382

IUPACN-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCOC(C)(C)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C13H24N2O2S/c1-4-17-12(2,3)9-14-11-15-13(10-18-11)5-7-16-8-6-13/h4-10H2,1-3H3,(H,14,15)
InChIKeySMJYEYQKOTXYHG-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.04
Rot. Bonds4

About N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136730382) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136730382
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCOC(C)(C)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C13H24N2O2S/c1-4-17-12(2,3)9-14-11-15-13(10-18-11)5-7-16-8-6-13/h4-10H2,1-3H3,(H,14,15)
InChIKeySMJYEYQKOTXYHG-UHFFFAOYSA-N
XLogP2.04
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136730382) is N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CCOC(C)(C)C/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is SMJYEYQKOTXYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-4-17-12(2,3)9-14-11-15-13(10-18-11)5-7-16-8-6-13/h4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 272.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136730382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).