9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one

C18H24N2O4S — CID 171910779

IUPAC9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC(=O)c1cc(CC(=O)N2CCC3(CC2)CC(O)CN(C)C3=O)cs1
InChIInChI=1S/C18H24N2O4S/c1-12(21)15-7-13(11-25-15)8-16(23)20-5-3-18(4-6-20)9-14(22)10-19(2)17(18)24/h7,11,14,22H,3-6,8-10H2,1-2H3
InChIKeyUMSLGZADURGNBF-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.33
Rot. Bonds3

About 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one

9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 171910779) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID171910779
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC(=O)c1cc(CC(=O)N2CCC3(CC2)CC(O)CN(C)C3=O)cs1
InChIInChI=1S/C18H24N2O4S/c1-12(21)15-7-13(11-25-15)8-16(23)20-5-3-18(4-6-20)9-14(22)10-19(2)17(18)24/h7,11,14,22H,3-6,8-10H2,1-2H3
InChIKeyUMSLGZADURGNBF-UHFFFAOYSA-N
XLogP1.33
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one (CID 171910779) is 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one is CC(=O)c1cc(CC(=O)N2CCC3(CC2)CC(O)CN(C)C3=O)cs1.
What is the InChIKey of 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is UMSLGZADURGNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-12(21)15-7-13(11-25-15)8-16(23)20-5-3-18(4-6-20)9-14(22)10-19(2)17(18)24/h7,11,14,22H,3-6,8-10H2,1-2H3.
What are the key properties of 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 364.47 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171910779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).