1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one

C13H22N2O2S — CID 169318381

IUPAC1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
SMILESCC(=O)N1CCSC12CCN(C(=O)C(C)C)CC2
InChIInChI=1S/C13H22N2O2S/c1-10(2)12(17)14-6-4-13(5-7-14)15(11(3)16)8-9-18-13/h10H,4-9H2,1-3H3
InChIKeyYOQSGEJLNODFKJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.56
Rot. Bonds1

About 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one

1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one (PubChem CID 169318381) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
PubChem CID169318381
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
SMILESCC(=O)N1CCSC12CCN(C(=O)C(C)C)CC2
InChIInChI=1S/C13H22N2O2S/c1-10(2)12(17)14-6-4-13(5-7-14)15(11(3)16)8-9-18-13/h10H,4-9H2,1-3H3
InChIKeyYOQSGEJLNODFKJ-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.56
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)-2-methylpropan-1-one?
The IUPAC name of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one (CID 169318381) is 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one is CC(=O)N1CCSC12CCN(C(=O)C(C)C)CC2.
What is the InChIKey of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
The InChIKey is YOQSGEJLNODFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)12(17)14-6-4-13(5-7-14)15(11(3)16)8-9-18-13/h10H,4-9H2,1-3H3.
What are the key properties of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one?
1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one has a molecular weight of 270.40 g/mol, XLogP of 1.56, 1 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)-2-methylpropan-1-one is sourced from PubChem (CID 169318381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).