2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole

C15H19N3O4S — CID 95103484

IUPAC2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)co2)C1
InChIInChI=1S/C15H19N3O4S/c1-10-3-2-6-18(8-10)23(19,20)13-7-12(9-21-13)15-17-16-14(22-15)11-4-5-11/h7,9-11H,2-6,8H2,1H3/t10-/m1/s1
InChIKeyAPCCGYQULFSYMH-SNVBAGLBSA-N
MW337.40 g/mol
LogP2.63
Rot. Bonds4

About 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 95103484) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID95103484
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)co2)C1
InChIInChI=1S/C15H19N3O4S/c1-10-3-2-6-18(8-10)23(19,20)13-7-12(9-21-13)15-17-16-14(22-15)11-4-5-11/h7,9-11H,2-6,8H2,1H3/t10-/m1/s1
InChIKeyAPCCGYQULFSYMH-SNVBAGLBSA-N
XLogP2.63
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 95103484) is 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is C[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)co2)C1.
What is the InChIKey of 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is APCCGYQULFSYMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-3-2-6-18(8-10)23(19,20)13-7-12(9-21-13)15-17-16-14(22-15)11-4-5-11/h7,9-11H,2-6,8H2,1H3/t10-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 337.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95103484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).