8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C16H20N2O2S — CID 46705280

IUPAC8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(19)17-9-7-16(8-10-17)18(15(20)12-21-16)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyGWJVQFWQKVQBOQ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.10
Rot. Bonds2

About 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46705280) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46705280
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(19)17-9-7-16(8-10-17)18(15(20)12-21-16)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyGWJVQFWQKVQBOQ-UHFFFAOYSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46705280) is 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC(=O)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1.
What is the InChIKey of 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GWJVQFWQKVQBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(19)17-9-7-16(8-10-17)18(15(20)12-21-16)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3.
What are the key properties of 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 304.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-4-benzyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46705280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).