[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide

C13H14N4O3S2 — CID 168683266

IUPAC[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C13H14N4O3S2/c14-22(19,20)8-9-6-11(18)17(7-9)13-15-12(16-21-13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,19,20)
InChIKeyIRJCKNOKONWNEI-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.85
Rot. Bonds4

About [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683266) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168683266
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C13H14N4O3S2/c14-22(19,20)8-9-6-11(18)17(7-9)13-15-12(16-21-13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,19,20)
InChIKeyIRJCKNOKONWNEI-UHFFFAOYSA-N
XLogP0.85
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683272
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683303
[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676065
[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide
CID 133484684
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[5-oxo-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677915
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682613

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide (CID 168683266) is [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2nc(-c3ccccc3)ns2)C1.
What is the InChIKey of [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IRJCKNOKONWNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c14-22(19,20)8-9-6-11(18)17(7-9)13-15-12(16-21-13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,19,20).
What are the key properties of [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 338.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).