3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C18H21N3O5S — CID 8004082

IUPAC3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc21
InChIInChI=1S/C18H21N3O5S/c1-27(25,26)21-9-6-12-10-13(4-5-14(12)21)15(22)11-20-16(23)18(19-17(20)24)7-2-3-8-18/h4-5,10H,2-3,6-9,11H2,1H3,(H,19,24)
InChIKeyIDTPXAWFBYIJSO-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.06
Rot. Bonds4

About 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 8004082) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID8004082
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc21
InChIInChI=1S/C18H21N3O5S/c1-27(25,26)21-9-6-12-10-13(4-5-14(12)21)15(22)11-20-16(23)18(19-17(20)24)7-2-3-8-18/h4-5,10H,2-3,6-9,11H2,1H3,(H,19,24)
InChIKeyIDTPXAWFBYIJSO-UHFFFAOYSA-N
XLogP1.06
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-ethyl-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41256841
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 41256884
1-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626894
3-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 55481016
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 33406346
2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone
CID 46954158
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
CID 4267246
3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710899
[1-(cyanomethyl)cyclobutyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 100768819
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 131962870

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 8004082) is 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc21.
What is the InChIKey of 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is IDTPXAWFBYIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-27(25,26)21-9-6-12-10-13(4-5-14(12)21)15(22)11-20-16(23)18(19-17(20)24)7-2-3-8-18/h4-5,10H,2-3,6-9,11H2,1H3,(H,19,24).
What are the key properties of 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 391.45 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 8004082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).