8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C19H23N3O4S — CID 91920541

IUPAC8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1C(=O)CS(=O)C12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C19H23N3O4S/c1-26-11-10-22-17(23)13-27(25)19(22)5-8-21(9-6-19)18(24)15-3-2-14-4-7-20-16(14)12-15/h2-4,7,12,20H,5-6,8-11,13H2,1H3
InChIKeyHGOIFLVFLJKXPY-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.34
Rot. Bonds4

About 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91920541) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91920541
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1C(=O)CS(=O)C12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C19H23N3O4S/c1-26-11-10-22-17(23)13-27(25)19(22)5-8-21(9-6-19)18(24)15-3-2-14-4-7-20-16(14)12-15/h2-4,7,12,20H,5-6,8-11,13H2,1H3
InChIKeyHGOIFLVFLJKXPY-UHFFFAOYSA-N
XLogP1.34
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 91920547
[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 133127608
8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494072
1H-indol-6-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390176
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
8-(3,4-dimethoxybenzoyl)-4-(2-methoxyethyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91911633
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56907275
3-[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 87054817
4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155565

Frequently Asked Questions

What is the IUPAC name of 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91920541) is 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is COCCN1C(=O)CS(=O)C12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2.
What is the InChIKey of 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HGOIFLVFLJKXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-11-10-22-17(23)13-27(25)19(22)5-8-21(9-6-19)18(24)15-3-2-14-4-7-20-16(14)12-15/h2-4,7,12,20H,5-6,8-11,13H2,1H3.
What are the key properties of 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 389.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91920541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).