(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone

C₁₇H₁₉NO₂S — CID 110644128

About (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone

(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone (PubChem CID 110644128) has the molecular formula C₁₇H₁₉NO₂S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
• PubChem CID: 110644128
• Molecular Formula: C₁₇H₁₉NO₂S
• Molecular Weight: 301.41 g/mol
• Exact Mass: 301.11
• IUPAC Name: (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
• SMILES: CC1CN(C(=O)c2cccs2)CC(Cc2ccccc2)O1
• InChI: InChI=1S/C17H19NO2S/c1-13-11-18(17(19)16-8-5-9-21-16)12-15(20-13)10-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3
• InChIKey: IZQWANQKVBSDLN-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.41
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?

The IUPAC name of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone (CID 110644128) is (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone.

What is the SMILES notation for (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?

The canonical SMILES for (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone is CC1CN(C(=O)c2cccs2)CC(Cc2ccccc2)O1.

What is the InChIKey of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?

The InChIKey is IZQWANQKVBSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-11-18(17(19)16-8-5-9-21-16)12-15(20-13)10-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3.

What are the key properties of (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone?

(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 301.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110644128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110644128 — identifiers, structure, computed properties (public domain)

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