8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione

C14H23NO2S — CID 139959182

IUPAC8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCSCCCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H23NO2S/c1-18-9-5-4-8-15-12(16)10-14(11-13(15)17)6-2-3-7-14/h2-11H2,1H3
InChIKeyILSYIGSLNJADGE-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.84
Rot. Bonds5

About 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione

8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 139959182) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID139959182
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCSCCCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H23NO2S/c1-18-9-5-4-8-15-12(16)10-14(11-13(15)17)6-2-3-7-14/h2-11H2,1H3
InChIKeyILSYIGSLNJADGE-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione 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

8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
8-[4-(4-methoxyphenyl)sulfanylbutyl]-8-azaspiro[4.5]decane-7,9-dione
CID 139959026
6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
CID 43804742
3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489526
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 5156407
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
CID 4500586
8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 165344828
3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azaspiro[5.6]dodecane-2,4-dione
CID 143023174

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione (CID 139959182) is 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione is CSCCCCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is ILSYIGSLNJADGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-18-9-5-4-8-15-12(16)10-14(11-13(15)17)6-2-3-7-14/h2-11H2,1H3.
What are the key properties of 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 269.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 139959182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).