[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C₁₈H₂₃N₅O₅S — CID 110196990

About [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110196990) has the molecular formula C₁₈H₂₃N₅O₅S and a molecular weight of 421.48 g/mol. Its IUPAC name is [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 110196990
• Molecular Formula: C₁₈H₂₃N₅O₅S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.14
• IUPAC Name: [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
• SMILES: Cn1cnc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)c1
• InChI: InChI=1S/C18H23N5O5S/c1-21-12-17(20-13-21)29(25,26)23-11-15(28-14-3-2-4-19-10-14)9-16(23)18(24)22-5-7-27-8-6-22/h2-4,10,12-13,15-16H,5-9,11H2,1H3/t15-,16+/m0/s1
• InChIKey: MCHUWQUFBXOKRT-JKSUJKDBSA-N
• XLogP: -0.12
• TPSA: 106.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	-0.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110196990) is [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is Cn1cnc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)c1.

What is the InChIKey of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?

The InChIKey is MCHUWQUFBXOKRT-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N5O5S/c1-21-12-17(20-13-21)29(25,26)23-11-15(28-14-3-2-4-19-10-14)9-16(23)18(24)22-5-7-27-8-6-22/h2-4,10,12-13,15-16H,5-9,11H2,1H3/t15-,16+/m0/s1.

What are the key properties of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?

[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 421.48 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110196990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110196990 — identifiers, structure, computed properties (public domain)

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