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

C20H24N2O2S — CID 124792962

IUPAC[(2R,3S)-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+/m0/s1
InChIKeyLGGJVVJXWOAWPV-RBUKOAKNSA-N
MW356.49 g/mol
LogP2.91
Rot. Bonds4

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

[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 124792962) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID124792962
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(2R,3S)-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+/m0/s1
InChIKeyLGGJVVJXWOAWPV-RBUKOAKNSA-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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Related Compounds

[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97384312
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470128
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 124806862
furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97471088
(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 97468834
[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-thiophen-3-ylmethanone
CID 97459002
furan-2-yl-[(2R,3S)-3-morpholin-4-yl-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124787611
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
furan-2-yl-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125215138
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 102787075
4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine
CID 124803692
[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97471026

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 124792962) is [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2R,3S)-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 [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is LGGJVVJXWOAWPV-RBUKOAKNSA-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+/m0/s1.
What are the key properties of [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(2R,3S)-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 [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 124792962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).