[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone

C11H15N3O2S — CID 131683997

IUPAC[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
SMILESC[C@@H]1C[C@@H]2CCN(C(=O)c3csnn3)C[C@H]2O1
InChIInChI=1S/C11H15N3O2S/c1-7-4-8-2-3-14(5-10(8)16-7)11(15)9-6-17-13-12-9/h6-8,10H,2-5H2,1H3/t7-,8+,10-/m1/s1
InChIKeyYVLYAIKMGCSMHY-KHQFGBGNSA-N
MW253.33 g/mol
LogP1.18
Rot. Bonds1

About [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone

[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone (PubChem CID 131683997) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
PubChem CID131683997
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
SMILESC[C@@H]1C[C@@H]2CCN(C(=O)c3csnn3)C[C@H]2O1
InChIInChI=1S/C11H15N3O2S/c1-7-4-8-2-3-14(5-10(8)16-7)11(15)9-6-17-13-12-9/h6-8,10H,2-5H2,1H3/t7-,8+,10-/m1/s1
InChIKeyYVLYAIKMGCSMHY-KHQFGBGNSA-N
XLogP1.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [(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) is [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone is C[C@@H]1C[C@@H]2CCN(C(=O)c3csnn3)C[C@H]2O1.
What is the InChIKey of [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is YVLYAIKMGCSMHY-KHQFGBGNSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-4-8-2-3-14(5-10(8)16-7)11(15)9-6-17-13-12-9/h6-8,10H,2-5H2,1H3/t7-,8+,10-/m1/s1.
What are the key properties of [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone?
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 253.33 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 131683997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).