1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide

C8H12N4O3S3 — CID 168717128

IUPAC1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCSc1nnc(N2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C8H12N4O3S3/c1-2-16-8-11-10-7(17-8)12-4-5(3-6(12)13)18(9,14)15/h5H,2-4H2,1H3,(H2,9,14,15)
InChIKeyLZFKUWURDBAEBV-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.04
Rot. Bonds4

About 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717128) has the molecular formula C8H12N4O3S3 and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717128
Molecular FormulaC8H12N4O3S3
Molecular Weight308.41 g/mol
Exact Mass308.01
IUPAC Name1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCSc1nnc(N2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C8H12N4O3S3/c1-2-16-8-11-10-7(17-8)12-4-5(3-6(12)13)18(9,14)15/h5H,2-4H2,1H3,(H2,9,14,15)
InChIKeyLZFKUWURDBAEBV-UHFFFAOYSA-N
XLogP0.04
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

[1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680883
4-amino-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168699321
1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662181
1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717006
5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168716987
[5-oxo-1-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672780
4-chloro-1-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168687429
5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
CID 168713672
1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168708714
N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 168717800
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672891

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717128) is 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide is CCSc1nnc(N2CC(S(N)(=O)=O)CC2=O)s1.
What is the InChIKey of 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is LZFKUWURDBAEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S3/c1-2-16-8-11-10-7(17-8)12-4-5(3-6(12)13)18(9,14)15/h5H,2-4H2,1H3,(H2,9,14,15).
What are the key properties of 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).