(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

C19H20N6O3S2 — CID 55645461

About (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (PubChem CID 55645461) has the molecular formula C19H20N6O3S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.

Molecular Properties

• Compound Name: (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
• PubChem CID: 55645461
• Molecular Formula: C19H20N6O3S2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.10
• IUPAC Name: (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
• SMILES: O=C(c1sccc1-n1cnnn1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
• InChI: InChI=1S/C19H20N6O3S2/c26-19(18-17(7-11-29-18)25-13-20-21-22-25)24-10-6-14-12-15(4-5-16(14)24)30(27,28)23-8-2-1-3-9-23/h4-5,7,11-13H,1-3,6,8-10H2
• InChIKey: RGQROCYCPQTHTD-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 101.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?

The IUPAC name of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (CID 55645461) is (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.

What is the SMILES notation for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?

The canonical SMILES for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is O=C(c1sccc1-n1cnnn1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.

What is the InChIKey of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?

The InChIKey is RGQROCYCPQTHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S2/c26-19(18-17(7-11-29-18)25-13-20-21-22-25)24-10-6-14-12-15(4-5-16(14)24)30(27,28)23-8-2-1-3-9-23/h4-5,7,11-13H,1-3,6,8-10H2.

What are the key properties of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?

(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone has a molecular weight of 444.54 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 55645461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).