1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride

C17H24ClN3O3S — CID 119989182

About 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride

1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride (PubChem CID 119989182) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
• PubChem CID: 119989182
• Molecular Formula: C17H24ClN3O3S
• Molecular Weight: 385.92 g/mol
• Exact Mass: 385.12
• IUPAC Name: 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)N3CCC4CCC(C3)N4)ccc21.Cl
• InChI: InChI=1S/C17H23N3O3S.ClH/c1-12(21)20-9-6-13-10-16(4-5-17(13)20)24(22,23)19-8-7-14-2-3-15(11-19)18-14;/h4-5,10,14-15,18H,2-3,6-9,11H2,1H3;1H
• InChIKey: DCGLYPIVLIZKGU-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.92
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

The IUPAC name of 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride (CID 119989182) is 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

What is the SMILES notation for 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

The canonical SMILES for 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride is CC(=O)N1CCc2cc(S(=O)(=O)N3CCC4CCC(C3)N4)ccc21.Cl.

What is the InChIKey of 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

The InChIKey is DCGLYPIVLIZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S.ClH/c1-12(21)20-9-6-13-10-16(4-5-17(13)20)24(22,23)19-8-7-14-2-3-15(11-19)18-14;/h4-5,10,14-15,18H,2-3,6-9,11H2,1H3;1H.

What are the key properties of 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride has a molecular weight of 385.92 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119989182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).