8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane

C16H24N2S — CID 64934883

IUPAC8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCSc1ccc(N2CC3(CCCC3)NCC2C)cc1
InChIInChI=1S/C16H24N2S/c1-13-11-17-16(9-3-4-10-16)12-18(13)14-5-7-15(19-2)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyODKQXSCKPLUJFB-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.52
Rot. Bonds2

About 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane

8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64934883) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
PubChem CID64934883
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCSc1ccc(N2CC3(CCCC3)NCC2C)cc1
InChIInChI=1S/C16H24N2S/c1-13-11-17-16(9-3-4-10-16)12-18(13)14-5-7-15(19-2)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyODKQXSCKPLUJFB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64930155
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
4-(1,3-benzodioxol-5-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931054
4-(1-benzothiophen-5-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 65451106
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 83082636
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 66254919
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane (CID 64934883) is 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane is CSc1ccc(N2CC3(CCCC3)NCC2C)cc1.
What is the InChIKey of 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ODKQXSCKPLUJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-13-11-17-16(9-3-4-10-16)12-18(13)14-5-7-15(19-2)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane?
8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 276.45 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64934883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).