8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C20H26N2O4S — CID 97192442

IUPAC8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@@H]2CCCO2)C3)s1
InChIInChI=1S/C20H26N2O4S/c1-14(23)16-4-5-17(27-16)19(25)21-8-6-20(7-9-21)11-18(24)22(13-20)12-15-3-2-10-26-15/h4-5,15H,2-3,6-13H2,1H3/t15-/m0/s1
InChIKeyYSJPRDNFAIRELA-HNNXBMFYSA-N
MW390.51 g/mol
LogP2.58
Rot. Bonds4

About 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97192442) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97192442
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@@H]2CCCO2)C3)s1
InChIInChI=1S/C20H26N2O4S/c1-14(23)16-4-5-17(27-16)19(25)21-8-6-20(7-9-21)11-18(24)22(13-20)12-15-3-2-10-26-15/h4-5,15H,2-3,6-13H2,1H3/t15-/m0/s1
InChIKeyYSJPRDNFAIRELA-HNNXBMFYSA-N
XLogP2.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97188197
8-(2,5-dimethylfuran-3-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191551
1-[5-[4-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 51078708
2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97196956
8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97194827
2-[[(2S)-oxolan-2-yl]methyl]-9-(1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97137788
9-(3-hydroxy-4-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121278
9-(5-methylpyridine-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121852
9-(1-methylpyrrole-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97123695
9-(2-hydroxy-4-methylbenzoyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97120358
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635
9-(3-methylbut-2-enoyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72891706

Frequently Asked Questions

What is the IUPAC name of 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97192442) is 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CC(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@@H]2CCCO2)C3)s1.
What is the InChIKey of 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YSJPRDNFAIRELA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(23)16-4-5-17(27-16)19(25)21-8-6-20(7-9-21)11-18(24)22(13-20)12-15-3-2-10-26-15/h4-5,15H,2-3,6-13H2,1H3/t15-/m0/s1.
What are the key properties of 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 390.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97192442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).