[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone

C20H24N2O2S — CID 97384322

IUPAC[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H24N2O2S/c23-20(19-7-4-14-25-19)22-9-8-17(21-10-12-24-13-11-21)18(22)15-16-5-2-1-3-6-16/h1-7,14,17-18H,8-13,15H2/t17-,18+/m1/s1
InChIKeyGZAIPRGIAJLERJ-MSOLQXFVSA-N
MW356.49 g/mol
LogP2.91
Rot. Bonds4

About [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone

[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 97384322) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID97384322
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H24N2O2S/c23-20(19-7-4-14-25-19)22-9-8-17(21-10-12-24-13-11-21)18(22)15-16-5-2-1-3-6-16/h1-7,14,17-18H,8-13,15H2/t17-,18+/m1/s1
InChIKeyGZAIPRGIAJLERJ-MSOLQXFVSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 97384322) is [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GZAIPRGIAJLERJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-20(19-7-4-14-25-19)22-9-8-17(21-10-12-24-13-11-21)18(22)15-16-5-2-1-3-6-16/h1-7,14,17-18H,8-13,15H2/t17-,18+/m1/s1.
What are the key properties of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 356.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97384322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).