1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide

C25H33N3O3S2 — CID 46400310

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide (PubChem CID 46400310) has the molecular formula C25H33N3O3S2 and a molecular weight of 487.69 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide
• PubChem CID: 46400310
• Molecular Formula: C25H33N3O3S2
• Molecular Weight: 487.69 g/mol
• Exact Mass: 487.20
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide
• SMILES: CC(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCc2sccc2C1
• InChI: InChI=1S/C25H33N3O3S2/c1-18(27-11-9-24-22(17-27)10-14-32-24)16-26-25(29)20-7-12-28(13-8-20)33(30,31)23-6-5-19-3-2-4-21(19)15-23/h5-6,10,14-15,18,20H,2-4,7-9,11-13,16-17H2,1H3,(H,26,29)
• InChIKey: URJYPOGTOJCFDO-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.69
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide (CID 46400310) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide is CC(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCc2sccc2C1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide?

The InChIKey is URJYPOGTOJCFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S2/c1-18(27-11-9-24-22(17-27)10-14-32-24)16-26-25(29)20-7-12-28(13-8-20)33(30,31)23-6-5-19-3-2-4-21(19)15-23/h5-6,10,14-15,18,20H,2-4,7-9,11-13,16-17H2,1H3,(H,26,29).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide?

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide has a molecular weight of 487.69 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46400310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).