4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine

C19H25N3OS — CID 124803692

IUPAC4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cncc(C[C@@H]2[C@@H](N3CCOCC3)CCN2Cc2ccsc2)c1
InChIInChI=1S/C19H25N3OS/c1-2-16(13-20-5-1)12-19-18(21-7-9-23-10-8-21)3-6-22(19)14-17-4-11-24-15-17/h1-2,4-5,11,13,15,18-19H,3,6-10,12,14H2/t18-,19+/m0/s1
InChIKeyQHFQKWVFZKYVSX-RBUKOAKNSA-N
MW343.50 g/mol
LogP2.66
Rot. Bonds5

About 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine

4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine (PubChem CID 124803692) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine
PubChem CID124803692
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cncc(C[C@@H]2[C@@H](N3CCOCC3)CCN2Cc2ccsc2)c1
InChIInChI=1S/C19H25N3OS/c1-2-16(13-20-5-1)12-19-18(21-7-9-23-10-8-21)3-6-22(19)14-17-4-11-24-15-17/h1-2,4-5,11,13,15,18-19H,3,6-10,12,14H2/t18-,19+/m0/s1
InChIKeyQHFQKWVFZKYVSX-RBUKOAKNSA-N
XLogP2.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S,3R)-1-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]morpholine;tris(2,2,2-trifluoroacetic acid)
CID 171694399
4-[(2S,3R)-1-[(5-methylfuran-2-yl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]morpholine;tris(2,2,2-trifluoroacetic acid)
CID 127023612
4-[(2S,3R)-1-(5-fluoropyrimidin-2-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]morpholine
CID 97470933
(4aS,7S,7aS)-7-(pyridin-3-ylmethoxy)-4-(thiophen-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97388089
(4aR,7R,7aR)-7-(pyridin-3-ylmethoxy)-4-(thiophen-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124788327
4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine
CID 97471082
furan-2-yl-[(2R,3S)-3-morpholin-4-yl-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124787611
(4aS,7R,7aR)-7-pyridin-3-yloxy-4-(thiophen-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365503
(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97384253
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124792962
[(3aS,6aR)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-thiophen-3-ylmethanone
CID 124792616
(3R,3aS,7aS)-3-(pyridin-3-ylmethoxy)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155835033

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine (CID 124803692) is 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine is c1cncc(C[C@@H]2[C@@H](N3CCOCC3)CCN2Cc2ccsc2)c1.
What is the InChIKey of 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine?
The InChIKey is QHFQKWVFZKYVSX-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-16(13-20-5-1)12-19-18(21-7-9-23-10-8-21)3-6-22(19)14-17-4-11-24-15-17/h1-2,4-5,11,13,15,18-19H,3,6-10,12,14H2/t18-,19+/m0/s1.
What are the key properties of 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine?
4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine has a molecular weight of 343.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 124803692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).