[(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

C15H20N4O4S — CID 131683552

IUPAC[(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESO=C(c1csnn1)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1
InChIInChI=1S/C15H20N4O4S/c20-14(11-9-24-17-16-11)18-5-3-10-7-12(23-13(10)8-18)15(21)19-4-1-2-6-22-19/h9-10,12-13H,1-8H2/t10-,12-,13+/m0/s1
InChIKeyOBLZQAFMKKUGCD-WCFLWFBJSA-N
MW352.42 g/mol
LogP0.71
Rot. Bonds2

About [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

[(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (PubChem CID 131683552) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
PubChem CID131683552
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name[(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESO=C(c1csnn1)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1
InChIInChI=1S/C15H20N4O4S/c20-14(11-9-24-17-16-11)18-5-3-10-7-12(23-13(10)8-18)15(21)19-4-1-2-6-22-19/h9-10,12-13H,1-8H2/t10-,12-,13+/m0/s1
InChIKeyOBLZQAFMKKUGCD-WCFLWFBJSA-N
XLogP0.71
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone with MolForge

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Related Compounds

[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
CID 131683997
[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124800228
[(2S,3aR,7aR)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124787441
[(2S,3aR,7aR)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124787588
1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131683056
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(thiadiazol-4-yl)methanone
CID 131689115
[(2R,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]-(oxazinan-2-yl)methanone
CID 97388532
[(2R,3aR,7aR)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124826136
[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 92632709
[(2R,3aS,7aS)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388541
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (CID 131683552) is [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is O=C(c1csnn1)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1.
What is the InChIKey of [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The InChIKey is OBLZQAFMKKUGCD-WCFLWFBJSA-N. The full InChI is InChI=1S/C15H20N4O4S/c20-14(11-9-24-17-16-11)18-5-3-10-7-12(23-13(10)8-18)15(21)19-4-1-2-6-22-19/h9-10,12-13H,1-8H2/t10-,12-,13+/m0/s1.
What are the key properties of [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
[(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone has a molecular weight of 352.42 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 131683552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).