1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone

C21H28N2O5S — CID 144806926

IUPAC1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone
SMILESCOc1cc2[nH]c(C(C)=O)cc2cc1OCCN1CCC2(CC1)CCS(=O)(=O)C2
InChIInChI=1S/C21H28N2O5S/c1-15(24)17-11-16-12-20(19(27-2)13-18(16)22-17)28-9-8-23-6-3-21(4-7-23)5-10-29(25,26)14-21/h11-13,22H,3-10,14H2,1-2H3
InChIKeyLSCGMUFOQJNGKR-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.66
Rot. Bonds6

About 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone

1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone (PubChem CID 144806926) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone
PubChem CID144806926
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone
SMILESCOc1cc2[nH]c(C(C)=O)cc2cc1OCCN1CCC2(CC1)CCS(=O)(=O)C2
InChIInChI=1S/C21H28N2O5S/c1-15(24)17-11-16-12-20(19(27-2)13-18(16)22-17)28-9-8-23-6-3-21(4-7-23)5-10-29(25,26)14-21/h11-13,22H,3-10,14H2,1-2H3
InChIKeyLSCGMUFOQJNGKR-UHFFFAOYSA-N
XLogP2.66
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone with MolForge

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Related Compounds

1-[6-methoxy-5-[2-(2-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone
CID 123850237
ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone
CID 144806892
[1-(chloromethyl)-7-[8-[2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-6-methoxy-1H-indol-5-yl]oxy]ethyl]-2-thia-8-azaspiro[4.5]decan-3-yl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]methanone
CID 123351921
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]methanone
CID 144806949
[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 167896070
1-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-6-methoxy-1H-indol-5-yl]oxy]ethyl]-4-ethyl-N-formylpiperidine-4-carboxamide
CID 144806959
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone
CID 144807026
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
(5,6-dimethoxy-1H-indol-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618209
(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618198

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone?
The IUPAC name of 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone (CID 144806926) is 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone is COc1cc2[nH]c(C(C)=O)cc2cc1OCCN1CCC2(CC1)CCS(=O)(=O)C2.
What is the InChIKey of 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone?
The InChIKey is LSCGMUFOQJNGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15(24)17-11-16-12-20(19(27-2)13-18(16)22-17)28-9-8-23-6-3-21(4-7-23)5-10-29(25,26)14-21/h11-13,22H,3-10,14H2,1-2H3.
What are the key properties of 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone?
1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone has a molecular weight of 420.53 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone is sourced from PubChem (CID 144806926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).