N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide

C14H20N6O3S — CID 74442685

IUPACN-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(c2nc(-c3cnccn3)no2)N(C)C1
InChIInChI=1S/C14H20N6O3S/c1-3-6-24(21,22)19-10-7-12(20(2)9-10)14-17-13(18-23-14)11-8-15-4-5-16-11/h4-5,8,10,12,19H,3,6-7,9H2,1-2H3
InChIKeyTZVHZVXEWUQMJR-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.60
Rot. Bonds6

About N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide

N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 74442685) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID74442685
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(c2nc(-c3cnccn3)no2)N(C)C1
InChIInChI=1S/C14H20N6O3S/c1-3-6-24(21,22)19-10-7-12(20(2)9-10)14-17-13(18-23-14)11-8-15-4-5-16-11/h4-5,8,10,12,19H,3,6-7,9H2,1-2H3
InChIKeyTZVHZVXEWUQMJR-UHFFFAOYSA-N
XLogP0.60
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 28960641
N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 163160946
1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 74577351
4-chloro-N-[1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 74577476
4-methyl-N-[(3S,5S)-1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]benzenesulfonamide
CID 25338368
N-[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 25338586
5-[(1R,2R)-2-methylcyclopropyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97014363
4-methyl-N-[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 25338785
2-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 28960803
N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 25338468
N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 74506502
2-(4-methoxyphenyl)-N-[(3S,5S)-1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 25338373

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide (CID 74442685) is N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CC(c2nc(-c3cnccn3)no2)N(C)C1.
What is the InChIKey of N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is TZVHZVXEWUQMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-3-6-24(21,22)19-10-7-12(20(2)9-10)14-17-13(18-23-14)11-8-15-4-5-16-11/h4-5,8,10,12,19H,3,6-7,9H2,1-2H3.
What are the key properties of N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 74442685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).