(3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C13H17N5O4S — CID 97422267

IUPAC(3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc([C@]23COC[C@H]2CN(S(=O)(=O)c2cn(C)cn2)C3)n1
InChIInChI=1S/C13H17N5O4S/c1-9-15-12(22-16-9)13-6-18(3-10(13)5-21-7-13)23(19,20)11-4-17(2)8-14-11/h4,8,10H,3,5-7H2,1-2H3/t10-,13-/m1/s1
InChIKeyWTTWCKGDHZTVJP-ZWNOBZJWSA-N
MW339.38 g/mol
LogP-0.30
Rot. Bonds3

About (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97422267) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97422267
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC Name(3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc([C@]23COC[C@H]2CN(S(=O)(=O)c2cn(C)cn2)C3)n1
InChIInChI=1S/C13H17N5O4S/c1-9-15-12(22-16-9)13-6-18(3-10(13)5-21-7-13)23(19,20)11-4-17(2)8-14-11/h4,8,10H,3,5-7H2,1-2H3/t10-,13-/m1/s1
InChIKeyWTTWCKGDHZTVJP-ZWNOBZJWSA-N
XLogP-0.30
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,6aR)-5-cyclopropylsulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97422279
1-[(3aS,6aS)-5-(1-methylimidazol-4-yl)sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
CID 124819783
3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 110257201
5-ethyl-3-[2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazole
CID 171148955
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide
CID 146073007
(3aS,7aS)-2-(1-methylimidazol-4-yl)sulfonyl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-amine
CID 138541444
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 97422280
3-methyl-5-[4-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
CID 91905427
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
(2R,3aS,6aS)-2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369174
3a-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]-2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 155976980
1-[(3aS,6aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(cyclohexen-1-yl)ethanone
CID 124807235

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97422267) is (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1noc([C@]23COC[C@H]2CN(S(=O)(=O)c2cn(C)cn2)C3)n1.
What is the InChIKey of (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is WTTWCKGDHZTVJP-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-9-15-12(22-16-9)13-6-18(3-10(13)5-21-7-13)23(19,20)11-4-17(2)8-14-11/h4,8,10H,3,5-7H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 339.38 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97422267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).