4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C18H24N2S — CID 2802912

IUPAC4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESC=C1SC(Nc2c(C)cc(C)cc2C)=NC12CCCCC2
InChIInChI=1S/C18H24N2S/c1-12-10-13(2)16(14(3)11-12)19-17-20-18(15(4)21-17)8-6-5-7-9-18/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyKFHUJGLDASPBLW-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.34
Rot. Bonds1

About 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 2802912) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound Name4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID2802912
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESC=C1SC(Nc2c(C)cc(C)cc2C)=NC12CCCCC2
InChIInChI=1S/C18H24N2S/c1-12-10-13(2)16(14(3)11-12)19-17-20-18(15(4)21-17)8-6-5-7-9-18/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyKFHUJGLDASPBLW-UHFFFAOYSA-N
XLogP5.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine 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 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 2802912) is 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is C=C1SC(Nc2c(C)cc(C)cc2C)=NC12CCCCC2.
What is the InChIKey of 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is KFHUJGLDASPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-12-10-13(2)16(14(3)11-12)19-17-20-18(15(4)21-17)8-6-5-7-9-18/h10-11H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 300.47 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-(2,4,6-trimethylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 2802912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).