[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone

C20H24FN3O4S — CID 44570765

About [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone (PubChem CID 44570765) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone
• PubChem CID: 44570765
• Molecular Formula: C20H24FN3O4S
• Molecular Weight: 421.49 g/mol
• Exact Mass: 421.15
• IUPAC Name: [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone
• SMILES: Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1
• InChI: InChI=1S/C20H24FN3O4S/c1-13-4-7-19(28-13)16-6-5-15(11-17(16)21)29(26,27)24-9-2-3-18(24)20(25)23-10-8-14(22)12-23/h4-7,11,14,18H,2-3,8-10,12,22H2,1H3/t14-,18+/m1/s1
• InChIKey: VNINLMKBPVLEPL-KDOFPFPSSA-N
• XLogP: 2.11
• TPSA: 96.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.49
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone?

The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone (CID 44570765) is [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone.

What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone?

The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone is Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1.

What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone?

The InChIKey is VNINLMKBPVLEPL-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-13-4-7-19(28-13)16-6-5-15(11-17(16)21)29(26,27)24-9-2-3-18(24)20(25)23-10-8-14(22)12-23/h4-7,11,14,18H,2-3,8-10,12,22H2,1H3/t14-,18+/m1/s1.

What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone?

[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone has a molecular weight of 421.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 44570765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).