6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H24N2OS — CID 83263704

IUPAC6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCSCC(C)CN1C(=O)C2(CC2)NC1c1cccc(C)c1
InChIInChI=1S/C17H24N2OS/c1-12-5-4-6-14(9-12)15-18-17(7-8-17)16(20)19(15)10-13(2)11-21-3/h4-6,9,13,15,18H,7-8,10-11H2,1-3H3
InChIKeyGAWZBPIFEJFXSD-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.96
Rot. Bonds5

About 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263704) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263704
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCSCC(C)CN1C(=O)C2(CC2)NC1c1cccc(C)c1
InChIInChI=1S/C17H24N2OS/c1-12-5-4-6-14(9-12)15-18-17(7-8-17)16(20)19(15)10-13(2)11-21-3/h4-6,9,13,15,18H,7-8,10-11H2,1-3H3
InChIKeyGAWZBPIFEJFXSD-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

2-(3-methylphenyl)-3-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79491776
5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83242741
6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245377
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
3-cyclobutyl-2-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83249263
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239801

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83263704) is 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is CSCC(C)CN1C(=O)C2(CC2)NC1c1cccc(C)c1.
What is the InChIKey of 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is GAWZBPIFEJFXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-5-4-6-14(9-12)15-18-17(7-8-17)16(20)19(15)10-13(2)11-21-3/h4-6,9,13,15,18H,7-8,10-11H2,1-3H3.
What are the key properties of 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 304.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).