1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride

C17H26ClN3O3S — CID 119975059

About 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride

1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride (PubChem CID 119975059) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
• PubChem CID: 119975059
• Molecular Formula: C17H26ClN3O3S
• Molecular Weight: 387.93 g/mol
• Exact Mass: 387.14
• IUPAC Name: 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
• SMILES: CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(C(C)N)CC3)cc21.Cl
• InChI: InChI=1S/C17H25N3O3S.ClH/c1-12(18)14-5-8-19(9-6-14)24(22,23)16-4-3-15-7-10-20(13(2)21)17(15)11-16;/h3-4,11-12,14H,5-10,18H2,1-2H3;1H
• InChIKey: PGVJNQVZDJFUCY-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 83.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.93
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

The IUPAC name of 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride (CID 119975059) is 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

What is the SMILES notation for 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

The canonical SMILES for 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride is CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(C(C)N)CC3)cc21.Cl.

What is the InChIKey of 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

The InChIKey is PGVJNQVZDJFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-12(18)14-5-8-19(9-6-14)24(22,23)16-4-3-15-7-10-20(13(2)21)17(15)11-16;/h3-4,11-12,14H,5-10,18H2,1-2H3;1H.

What are the key properties of 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride?

1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119975059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).