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

C14H24N2O2S — CID 169318639

IUPAC1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(=O)N1CCSC12CCN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C14H24N2O2S/c1-11(17)16-9-10-19-14(16)5-7-15(8-6-14)12(18)13(2,3)4/h5-10H2,1-4H3
InChIKeyIRCIHPOHDOZMMR-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.95
Rot. Bonds

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

1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one (PubChem CID 169318639) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
PubChem CID169318639
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
SMILESCC(=O)N1CCSC12CCN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C14H24N2O2S/c1-11(17)16-9-10-19-14(16)5-7-15(8-6-14)12(18)13(2,3)4/h5-10H2,1-4H3
InChIKeyIRCIHPOHDOZMMR-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.95
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)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one (CID 169318639) is 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one is CC(=O)N1CCSC12CCN(C(=O)C(C)(C)C)CC2.
What is the InChIKey of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one?
The InChIKey is IRCIHPOHDOZMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(17)16-9-10-19-14(16)5-7-15(8-6-14)12(18)13(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one?
1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one has a molecular weight of 284.42 g/mol, XLogP of 1.95, 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)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 169318639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).