8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine

C15H23N3OS — CID 136908765

IUPAC8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCc1cnc(C(C)/N=C2/NC3(CCC(C)CC3)CS2)o1
InChIInChI=1S/C15H23N3OS/c1-10-4-6-15(7-5-10)9-20-14(18-15)17-12(3)13-16-8-11(2)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyYPSGGLXGODYGOM-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.69
Rot. Bonds2

About 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine

8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136908765) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136908765
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCc1cnc(C(C)/N=C2/NC3(CCC(C)CC3)CS2)o1
InChIInChI=1S/C15H23N3OS/c1-10-4-6-15(7-5-10)9-20-14(18-15)17-12(3)13-16-8-11(2)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyYPSGGLXGODYGOM-UHFFFAOYSA-N
XLogP3.69
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.69
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 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136908765) is 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine is Cc1cnc(C(C)/N=C2/NC3(CCC(C)CC3)CS2)o1.
What is the InChIKey of 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is YPSGGLXGODYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-4-6-15(7-5-10)9-20-14(18-15)17-12(3)13-16-8-11(2)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 293.44 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136908765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).