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

C15H21N3O4S — CID 97475888

IUPAC(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESO=S(=O)(C1CC1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C15H21N3O4S/c19-23(20,12-3-4-12)18-6-11-7-21-9-15(11,8-18)5-13-16-17-14(22-13)10-1-2-10/h10-12H,1-9H2/t11-,15+/m1/s1
InChIKeyPHOKAEBAEZTBON-ABAIWWIYSA-N
MW339.42 g/mol
LogP0.93
Rot. Bonds5

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

(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97475888) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97475888
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESO=S(=O)(C1CC1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C15H21N3O4S/c19-23(20,12-3-4-12)18-6-11-7-21-9-15(11,8-18)5-13-16-17-14(22-13)10-1-2-10/h10-12H,1-9H2/t11-,15+/m1/s1
InChIKeyPHOKAEBAEZTBON-ABAIWWIYSA-N
XLogP0.93
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97474891
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97475850
(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124789302
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155847894
(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97421150
(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
[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97422357
(3aR,6aR)-5-(benzenesulfonyl)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420502
[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone
CID 97422355
(3aR,6aR)-3a-(morpholin-4-ylmethyl)-5-pyridin-3-ylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420503
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-sulfonamide
CID 97420968

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97475888) is (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is O=S(=O)(C1CC1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1.
What is the InChIKey of (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is PHOKAEBAEZTBON-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-23(20,12-3-4-12)18-6-11-7-21-9-15(11,8-18)5-13-16-17-14(22-13)10-1-2-10/h10-12H,1-9H2/t11-,15+/m1/s1.
What are the key properties of (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 339.42 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97475888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).