4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

C13H18N4O4S — CID 90543461

IUPAC4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C13H18N4O4S/c1-16(2)22(18,19)17-6-3-10(4-7-17)12-14-15-13(21-12)11-5-8-20-9-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyWGNFNYISUNHMPV-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.32
Rot. Bonds4

About 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 90543461) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID90543461
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C13H18N4O4S/c1-16(2)22(18,19)17-6-3-10(4-7-17)12-14-15-13(21-12)11-5-8-20-9-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyWGNFNYISUNHMPV-UHFFFAOYSA-N
XLogP1.32
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543490
N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
CID 121117215
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543491
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543462
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543458
2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole
CID 90543488
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90543429
[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543217
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
(4-ethoxyphenyl)-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543080
4-[5-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 51137783
1-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 90543153

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 90543461) is 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1.
What is the InChIKey of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WGNFNYISUNHMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-16(2)22(18,19)17-6-3-10(4-7-17)12-14-15-13(21-12)11-5-8-20-9-11/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 326.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 90543461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).