(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine

C16H20N2O3S — CID 124622385

IUPAC(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine
SMILESCOc1ccnc(CN2CCO[C@H](c3ccsc3)C2)c1OC
InChIInChI=1S/C16H20N2O3S/c1-19-14-3-5-17-13(16(14)20-2)9-18-6-7-21-15(10-18)12-4-8-22-11-12/h3-5,8,11,15H,6-7,9-10H2,1-2H3/t15-/m0/s1
InChIKeyMYNMMAFTLAGRRJ-HNNXBMFYSA-N
MW320.41 g/mol
LogP2.73
Rot. Bonds5

About (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine

(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine (PubChem CID 124622385) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine
PubChem CID124622385
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine
SMILESCOc1ccnc(CN2CCO[C@H](c3ccsc3)C2)c1OC
InChIInChI=1S/C16H20N2O3S/c1-19-14-3-5-17-13(16(14)20-2)9-18-6-7-21-15(10-18)12-4-8-22-11-12/h3-5,8,11,15H,6-7,9-10H2,1-2H3/t15-/m0/s1
InChIKeyMYNMMAFTLAGRRJ-HNNXBMFYSA-N
XLogP2.73
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine?
The IUPAC name of (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine (CID 124622385) is (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine.
What is the SMILES notation for (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine?
The canonical SMILES for (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine is COc1ccnc(CN2CCO[C@H](c3ccsc3)C2)c1OC.
What is the InChIKey of (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine?
The InChIKey is MYNMMAFTLAGRRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-19-14-3-5-17-13(16(14)20-2)9-18-6-7-21-15(10-18)12-4-8-22-11-12/h3-5,8,11,15H,6-7,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine?
(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine has a molecular weight of 320.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine is sourced from PubChem (CID 124622385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).