8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene

C16H22N2S — CID 4268763

IUPAC8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESCCC1CCC2(CC1)NN=C(c1ccc(C)cc1)S2
InChIInChI=1S/C16H22N2S/c1-3-13-8-10-16(11-9-13)18-17-15(19-16)14-6-4-12(2)5-7-14/h4-7,13,18H,3,8-11H2,1-2H3
InChIKeyFBHFAIHAUZHMGF-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.29
Rot. Bonds2

About 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene

8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene (PubChem CID 4268763) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene
PubChem CID4268763
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESCCC1CCC2(CC1)NN=C(c1ccc(C)cc1)S2
InChIInChI=1S/C16H22N2S/c1-3-13-8-10-16(11-9-13)18-17-15(19-16)14-6-4-12(2)5-7-14/h4-7,13,18H,3,8-11H2,1-2H3
InChIKeyFBHFAIHAUZHMGF-UHFFFAOYSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene 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 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene (CID 4268763) is 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene is CCC1CCC2(CC1)NN=C(c1ccc(C)cc1)S2.
What is the InChIKey of 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The InChIKey is FBHFAIHAUZHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-13-8-10-16(11-9-13)18-17-15(19-16)14-6-4-12(2)5-7-14/h4-7,13,18H,3,8-11H2,1-2H3.
What are the key properties of 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene has a molecular weight of 274.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 4268763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).