[(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone

C19H26N2O4S — CID 125236059

IUPAC[(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCS(=O)(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCOCC1
InChIInChI=1S/C19H26N2O4S/c22-19(21-7-9-25-10-8-21)16-6-11-26(23,24)18-14-20(13-17(16)18)12-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2/t16-,17+,18+/m1/s1
InChIKeyZDGFSFCWZUTNSV-SQNIBIBYSA-N
MW378.49 g/mol
LogP0.78
Rot. Bonds3

About [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone

[(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone (PubChem CID 125236059) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone
PubChem CID125236059
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name[(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCS(=O)(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCOCC1
InChIInChI=1S/C19H26N2O4S/c22-19(21-7-9-25-10-8-21)16-6-11-26(23,24)18-14-20(13-17(16)18)12-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2/t16-,17+,18+/m1/s1
InChIKeyZDGFSFCWZUTNSV-SQNIBIBYSA-N
XLogP0.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone (CID 125236059) is [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCOCC1.
What is the InChIKey of [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZDGFSFCWZUTNSV-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c22-19(21-7-9-25-10-8-21)16-6-11-26(23,24)18-14-20(13-17(16)18)12-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2/t16-,17+,18+/m1/s1.
What are the key properties of [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone?
[(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 378.49 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4aR,7aR)-6-benzyl-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 125236059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).