[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone

C17H24N2O3S — CID 97366678

IUPAC[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1)N1CCOCC1
InChIInChI=1S/C17H24N2O3S/c20-17(19-4-6-21-7-5-19)15-9-14-1-3-18(11-16(14)22-15)10-13-2-8-23-12-13/h2,8,12,14-16H,1,3-7,9-11H2/t14-,15-,16+/m0/s1
InChIKeyAAVBXYDLTRVHOB-HRCADAONSA-N
MW336.46 g/mol
LogP1.59
Rot. Bonds3

About [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone

[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 97366678) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID97366678
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1)N1CCOCC1
InChIInChI=1S/C17H24N2O3S/c20-17(19-4-6-21-7-5-19)15-9-14-1-3-18(11-16(14)22-15)10-13-2-8-23-12-13/h2,8,12,14-16H,1,3-7,9-11H2/t14-,15-,16+/m0/s1
InChIKeyAAVBXYDLTRVHOB-HRCADAONSA-N
XLogP1.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 97366740
(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97364888
(2S,3aR,7aR)-N-pyridin-3-yl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781922
[(2S,3aS,7aS)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366669
[(2S,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
CID 97366679
[(2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
CID 97366916
[(2S,3aR,7aS)-6-(1,3-benzodioxol-5-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 124787097
[(2R,3aS,7aR)-6-(1,3-benzodioxol-5-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366904
(2S,3aS,7aR)-N-(pyridin-3-ylmethyl)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155849637
[(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
CID 124787721
[(2R,3aS,7aS)-6-[(3,4-difluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 155878543
[(2S,3aS,7aR)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155828821

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone (CID 97366678) is [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1)N1CCOCC1.
What is the InChIKey of [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AAVBXYDLTRVHOB-HRCADAONSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(19-4-6-21-7-5-19)15-9-14-1-3-18(11-16(14)22-15)10-13-2-8-23-12-13/h2,8,12,14-16H,1,3-7,9-11H2/t14-,15-,16+/m0/s1.
What are the key properties of [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 336.46 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97366678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).