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

C20H24N2O2S — CID 97384315

IUPAC[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H24N2O2S/c23-20(17-7-13-25-15-17)22-8-6-18(21-9-11-24-12-10-21)19(22)14-16-4-2-1-3-5-16/h1-5,7,13,15,18-19H,6,8-12,14H2/t18-,19+/m1/s1
InChIKeyLGGJVVJXWOAWPV-MOPGFXCFSA-N
MW356.49 g/mol
LogP2.91
Rot. Bonds4

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

[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 97384315) 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-3-ylmethanone.

Molecular Properties

Compound Name[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID97384315
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H24N2O2S/c23-20(17-7-13-25-15-17)22-8-6-18(21-9-11-24-12-10-21)19(22)14-16-4-2-1-3-5-16/h1-5,7,13,15,18-19H,6,8-12,14H2/t18-,19+/m1/s1
InChIKeyLGGJVVJXWOAWPV-MOPGFXCFSA-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-3-ylmethanone?
The IUPAC name of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 97384315) is [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is LGGJVVJXWOAWPV-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-20(17-7-13-25-15-17)22-8-6-18(21-9-11-24-12-10-21)19(22)14-16-4-2-1-3-5-16/h1-5,7,13,15,18-19H,6,8-12,14H2/t18-,19+/m1/s1.
What are the key properties of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-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-3-ylmethanone is sourced from PubChem (CID 97384315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).