8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C19H24N2O3S — CID 166259314

IUPAC8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1OC2(CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)NC1=O
InChIInChI=1S/C19H24N2O3S/c1-13-18(23)20-19(24-13)7-9-21(10-8-19)17(22)12-25-16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,23)
InChIKeyJFPVAQGDBLFTFP-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.12
Rot. Bonds3

About 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 166259314) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID166259314
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1OC2(CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)NC1=O
InChIInChI=1S/C19H24N2O3S/c1-13-18(23)20-19(24-13)7-9-21(10-8-19)17(22)12-25-16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,23)
InChIKeyJFPVAQGDBLFTFP-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
CID 60652352
4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-1,4-diazepan-2-one
CID 62897040
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51184678
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32532401
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 38575123
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 51269779
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260868
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 31794183
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120823550

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 166259314) is 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CC1OC2(CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)NC1=O.
What is the InChIKey of 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is JFPVAQGDBLFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-18(23)20-19(24-13)7-9-21(10-8-19)17(22)12-25-16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,23).
What are the key properties of 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 360.48 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 166259314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).