(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

C10H15N3O4S — CID 97369250

IUPAC(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
SMILESCc1noc([C@@H]2C[C@H]3CN(S(C)(=O)=O)C[C@H]3O2)n1
InChIInChI=1S/C10H15N3O4S/c1-6-11-10(17-12-6)8-3-7-4-13(18(2,14)15)5-9(7)16-8/h7-9H,3-5H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyQZUZFVORCUVCPV-XHNCKOQMSA-N
MW273.31 g/mol
LogP0.10
Rot. Bonds2

About (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

(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 (PubChem CID 97369250) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97369250
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(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
SMILESCc1noc([C@@H]2C[C@H]3CN(S(C)(=O)=O)C[C@H]3O2)n1
InChIInChI=1S/C10H15N3O4S/c1-6-11-10(17-12-6)8-3-7-4-13(18(2,14)15)5-9(7)16-8/h7-9H,3-5H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyQZUZFVORCUVCPV-XHNCKOQMSA-N
XLogP0.10
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369234
3-[(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]-1-methylpyridin-2-one
CID 131687468
[(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369254
[(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 124799086
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97392553
(2S,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 127022247
(2S,3aR,7aR)-6-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124811789
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97392551
[(2S,3aR,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 124811162
(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124810298
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513257
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1noc([C@@H]2C[C@H]3CN(S(C)(=O)=O)C[C@H]3O2)n1.
What is the InChIKey of (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?
The InChIKey is QZUZFVORCUVCPV-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6-11-10(17-12-6)8-3-7-4-13(18(2,14)15)5-9(7)16-8/h7-9H,3-5H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 273.31 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97369250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).