8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one

C16H21NOS — CID 703600

IUPAC8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCC1CCC2(CC1)SCC(=O)N2c1ccccc1
InChIInChI=1S/C16H21NOS/c1-2-13-8-10-16(11-9-13)17(15(18)12-19-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyXDEUTSZKPUPFOT-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.06
Rot. Bonds2

About 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one

8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 703600) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID703600
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCCC1CCC2(CC1)SCC(=O)N2c1ccccc1
InChIInChI=1S/C16H21NOS/c1-2-13-8-10-16(11-9-13)17(15(18)12-19-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyXDEUTSZKPUPFOT-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
Rhodanine, 3-(o-tolyl)-
CID 98686
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
3-m-Tolylrhodanine
CID 95741
3-p-Tolylrhodanine
CID 99568
CID 2826089
CID 2826089
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
5-Benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3976167
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232767
5-Benzyl-3-phenylthiazolidine-2,4-dione
CID 290163

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one (CID 703600) is 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one is CCC1CCC2(CC1)SCC(=O)N2c1ccccc1.
What is the InChIKey of 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is XDEUTSZKPUPFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-13-8-10-16(11-9-13)17(15(18)12-19-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one?
8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 275.42 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 703600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).