8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C20H20N2O2S — CID 42880770

IUPAC8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)SCC(=O)N2c1ccccc1
InChIInChI=1S/C20H20N2O2S/c23-18-15-25-20(22(18)17-9-5-2-6-10-17)11-13-21(14-12-20)19(24)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyNMMULMLPYFUSTI-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.40
Rot. Bonds2

About 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 42880770) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID42880770
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)SCC(=O)N2c1ccccc1
InChIInChI=1S/C20H20N2O2S/c23-18-15-25-20(22(18)17-9-5-2-6-10-17)11-13-21(14-12-20)19(24)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyNMMULMLPYFUSTI-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-chlorobenzoyl)-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113011
4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112907
4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112830
4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112861
8-(2-chloro-2-phenylacetyl)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112912
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112886
4-(4-chlorophenyl)-N-(2-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113074
8-(cyclobutanecarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112960
4-(4-chlorophenyl)-8-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112809
4-(4-chlorophenyl)-8-(3,3-dimethylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112815
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 42880770) is 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(c1ccccc1)N1CCC2(CC1)SCC(=O)N2c1ccccc1.
What is the InChIKey of 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NMMULMLPYFUSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-18-15-25-20(22(18)17-9-5-2-6-10-17)11-13-21(14-12-20)19(24)16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 352.46 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 42880770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).