(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C13H21N3O4S — CID 134690555

IUPAC(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCCCS(=O)(=O)N1C[C@H]2C[C@@H](Cc3nc(C)no3)O[C@H]2C1
InChIInChI=1S/C13H21N3O4S/c1-3-4-21(17,18)16-7-10-5-11(19-12(10)8-16)6-13-14-9(2)15-20-13/h10-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyQUKGNKFYLDKFDB-WOPDTQHZSA-N
MW315.40 g/mol
LogP0.75
Rot. Bonds5

About (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 134690555) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID134690555
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCCCS(=O)(=O)N1C[C@H]2C[C@@H](Cc3nc(C)no3)O[C@H]2C1
InChIInChI=1S/C13H21N3O4S/c1-3-4-21(17,18)16-7-10-5-11(19-12(10)8-16)6-13-14-9(2)15-20-13/h10-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyQUKGNKFYLDKFDB-WOPDTQHZSA-N
XLogP0.75
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97485219
1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone
CID 155875591
[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97485955
(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124811141
1-[(2S,3aR,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(2-fluorophenyl)ethanone
CID 125226909
1-[(2S,3aR,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 125222750
1-[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-pyridin-2-ylethanone
CID 97482252
(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369250
5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 60570659
(3aS,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propylsulfonyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124805939
methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 112633014
N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 163160946

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 134690555) is (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is CCCS(=O)(=O)N1C[C@H]2C[C@@H](Cc3nc(C)no3)O[C@H]2C1.
What is the InChIKey of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is QUKGNKFYLDKFDB-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-4-21(17,18)16-7-10-5-11(19-12(10)8-16)6-13-14-9(2)15-20-13/h10-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 315.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 134690555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).