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

C16H24ClN3O3S — CID 120582987

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

1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride (PubChem CID 120582987) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
• PubChem CID: 120582987
• Molecular Formula: C16H24ClN3O3S
• Molecular Weight: 373.91 g/mol
• Exact Mass: 373.12
• IUPAC Name: 1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
• SMILES: CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(C(C)N)C3)cc21.Cl
• InChI: InChI=1S/C16H23N3O3S.ClH/c1-11(17)14-5-7-18(10-14)23(21,22)15-4-3-13-6-8-19(12(2)20)16(13)9-15;/h3-4,9,11,14H,5-8,10,17H2,1-2H3;1H
• InChIKey: CXWVCJOATHWNMI-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 83.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.91
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride (CID 120582987) is 1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

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

The canonical SMILES for 1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride is CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(C(C)N)C3)cc21.Cl.

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

The InChIKey is CXWVCJOATHWNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-11(17)14-5-7-18(10-14)23(21,22)15-4-3-13-6-8-19(12(2)20)16(13)9-15;/h3-4,9,11,14H,5-8,10,17H2,1-2H3;1H.

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

1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120582987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).