1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone

C11H18N2O2S — CID 169318443

IUPAC1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)SCCN2C(C)=O
InChIInChI=1S/C11H18N2O2S/c1-9(14)12-5-3-11(4-6-12)13(10(2)15)7-8-16-11/h3-8H2,1-2H3
InChIKeyOLOPIXYNSKDZCF-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.92
Rot. Bonds

About 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone

1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 169318443) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
PubChem CID169318443
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)SCCN2C(C)=O
InChIInChI=1S/C11H18N2O2S/c1-9(14)12-5-3-11(4-6-12)13(10(2)15)7-8-16-11/h3-8H2,1-2H3
InChIKeyOLOPIXYNSKDZCF-UHFFFAOYSA-N
XLogP0.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 169318443) is 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone is CC(=O)N1CCC2(CC1)SCCN2C(C)=O.
What is the InChIKey of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is OLOPIXYNSKDZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(14)12-5-3-11(4-6-12)13(10(2)15)7-8-16-11/h3-8H2,1-2H3.
What are the key properties of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 242.34 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 169318443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).