(3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C16H19N3O4S — CID 97484194

IUPAC(3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc([C@H]2CO[C@@H]3CN(S(=O)(=O)c4ccccc4C)C[C@H]23)n1
InChIInChI=1S/C16H19N3O4S/c1-10-5-3-4-6-15(10)24(20,21)19-7-12-13(9-22-14(12)8-19)16-17-11(2)18-23-16/h3-6,12-14H,7-9H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyMRAHQNKHIIDXOV-HZSPNIEDSA-N
MW349.41 g/mol
LogP1.49
Rot. Bonds3

About (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97484194) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97484194
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc([C@H]2CO[C@@H]3CN(S(=O)(=O)c4ccccc4C)C[C@H]23)n1
InChIInChI=1S/C16H19N3O4S/c1-10-5-3-4-6-15(10)24(20,21)19-7-12-13(9-22-14(12)8-19)16-17-11(2)18-23-16/h3-6,12-14H,7-9H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyMRAHQNKHIIDXOV-HZSPNIEDSA-N
XLogP1.49
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-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

5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129418097
(3S,3aR,6aR)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124809106
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491455
(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97477773
[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 124808316
(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide
CID 129417073
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346768
4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
CID 110115458
5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 51966188

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97484194) is (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1noc([C@H]2CO[C@@H]3CN(S(=O)(=O)c4ccccc4C)C[C@H]23)n1.
What is the InChIKey of (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is MRAHQNKHIIDXOV-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10-5-3-4-6-15(10)24(20,21)19-7-12-13(9-22-14(12)8-19)16-17-11(2)18-23-16/h3-6,12-14H,7-9H2,1-2H3/t12-,13+,14-/m1/s1.
What are the key properties of (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 349.41 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97484194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).