1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone

C17H23N3O3S — CID 82038003

IUPAC1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCC4(CCNC4)C3)ccc21
InChIInChI=1S/C17H23N3O3S/c1-13(21)20-8-4-14-10-15(2-3-16(14)20)24(22,23)19-9-6-17(12-19)5-7-18-11-17/h2-3,10,18H,4-9,11-12H2,1H3
InChIKeyDADDMTPHULXGRN-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.97
Rot. Bonds2

About 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone

1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 82038003) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID82038003
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCC4(CCNC4)C3)ccc21
InChIInChI=1S/C17H23N3O3S/c1-13(21)20-8-4-14-10-15(2-3-16(14)20)24(22,23)19-9-6-17(12-19)5-7-18-11-17/h2-3,10,18H,4-9,11-12H2,1H3
InChIKeyDADDMTPHULXGRN-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 120779993
1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119981862
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 48629717
1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119989182
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120777741
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone (CID 82038003) is 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CCC4(CCNC4)C3)ccc21.
What is the InChIKey of 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DADDMTPHULXGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13(21)20-8-4-14-10-15(2-3-16(14)20)24(22,23)19-9-6-17(12-19)5-7-18-11-17/h2-3,10,18H,4-9,11-12H2,1H3.
What are the key properties of 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 349.46 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 82038003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).