Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate

C₁₅H₂₂N₂O₅S — CID 94638463

About Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate

Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate (PubChem CID 94638463) has the molecular formula C₁₅H₂₂N₂O₅S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
• PubChem CID: 94638463
• Molecular Formula: C₁₅H₂₂N₂O₅S
• Molecular Weight: 342.42 g/mol
• Exact Mass: 342.12
• IUPAC Name: ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
• SMILES: CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
• InChI: InChI=1S/C15H22N2O5S/c1-3-22-15(18)16-12-5-4-10-17(11-12)23(19,20)14-8-6-13(21-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m1/s1
• InChIKey: HXKPPCUQUXWZDD-GFCCVEGCSA-N
• XLogP: 1.59
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.42
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?

The IUPAC name of Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate (CID 94638463) is ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate.

What is the SMILES notation for Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?

The canonical SMILES for Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.

What is the InChIKey of Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?

The InChIKey is HXKPPCUQUXWZDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-22-15(18)16-12-5-4-10-17(11-12)23(19,20)14-8-6-13(21-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m1/s1.

What are the key properties of Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?

Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate has a molecular weight of 342.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate is sourced from PubChem (CID 94638463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 94638463 — identifiers, structure, computed properties (public domain)

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