(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

C14H17N3O2S — CID 124809106

IUPAC(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
SMILESCc1noc([C@@H]2CO[C@H]3CN(Cc4cccs4)C[C@H]32)n1
InChIInChI=1S/C14H17N3O2S/c1-9-15-14(19-16-9)12-8-18-13-7-17(6-11(12)13)5-10-3-2-4-20-10/h2-4,11-13H,5-8H2,1H3/t11-,12+,13-/m0/s1
InChIKeyNOTDNTRBGMEXID-XQQFMLRXSA-N
MW291.38 g/mol
LogP2.05
Rot. Bonds3

About (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

(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 (PubChem CID 124809106) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124809106
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(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
SMILESCc1noc([C@@H]2CO[C@H]3CN(Cc4cccs4)C[C@H]32)n1
InChIInChI=1S/C14H17N3O2S/c1-9-15-14(19-16-9)12-8-18-13-7-17(6-11(12)13)5-10-3-2-4-20-10/h2-4,11-13H,5-8H2,1H3/t11-,12+,13-/m0/s1
InChIKeyNOTDNTRBGMEXID-XQQFMLRXSA-N
XLogP2.05
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1noc([C@@H]2CO[C@H]3CN(Cc4cccs4)C[C@H]32)n1.
What is the InChIKey of (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?
The InChIKey is NOTDNTRBGMEXID-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-15-14(19-16-9)12-8-18-13-7-17(6-11(12)13)5-10-3-2-4-20-10/h2-4,11-13H,5-8H2,1H3/t11-,12+,13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 291.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124809106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).