(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone

C₁₆H₂₅N₃O₄S — CID 53068726

About (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone

(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone (PubChem CID 53068726) has the molecular formula C₁₆H₂₅N₃O₄S and a molecular weight of 355.46 g/mol. Its IUPAC name is (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone
• PubChem CID: 53068726
• Molecular Formula: C₁₆H₂₅N₃O₄S
• Molecular Weight: 355.46 g/mol
• Exact Mass: 355.16
• IUPAC Name: (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone
• SMILES: Cc1c(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCCCC2)n1C
• InChI: InChI=1S/C16H25N3O4S/c1-13-15(24(21,22)19-8-10-23-11-9-19)12-14(17(13)2)16(20)18-6-4-3-5-7-18/h12H,3-11H2,1-2H3
• InChIKey: FUJDBRMERHPZFB-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 71.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.46
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?

The IUPAC name of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone (CID 53068726) is (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone.

What is the SMILES notation for (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?

The canonical SMILES for (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone is Cc1c(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCCCC2)n1C.

What is the InChIKey of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?

The InChIKey is FUJDBRMERHPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-15(24(21,22)19-8-10-23-11-9-19)12-14(17(13)2)16(20)18-6-4-3-5-7-18/h12H,3-11H2,1-2H3.

What are the key properties of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?

(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 355.46 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 53068726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 53068726 — identifiers, structure, computed properties (public domain)

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