5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide

C11H18N4O3S2 — CID 168716987

IUPAC5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide
SMILESCCC(CC)c1nnc(N2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C11H18N4O3S2/c1-3-7(4-2)10-13-14-11(19-10)15-6-8(5-9(15)16)20(12,17)18/h7-8H,3-6H2,1-2H3,(H2,12,17,18)
InChIKeyNOKNMCXBLFNPHP-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.84
Rot. Bonds5

About 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide (PubChem CID 168716987) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide
PubChem CID168716987
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide
SMILESCCC(CC)c1nnc(N2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C11H18N4O3S2/c1-3-7(4-2)10-13-14-11(19-10)15-6-8(5-9(15)16)20(12,17)18/h7-8H,3-6H2,1-2H3,(H2,12,17,18)
InChIKeyNOKNMCXBLFNPHP-UHFFFAOYSA-N
XLogP0.84
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717006
1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717128
4-(azidomethyl)-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168656017
5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
CID 168713672
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 168717800
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
[1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680883
[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672891
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662204
5-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-sulfonyl chloride
CID 168713007
1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716523

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide (CID 168716987) is 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide is CCC(CC)c1nnc(N2CC(S(N)(=O)=O)CC2=O)s1.
What is the InChIKey of 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide?
The InChIKey is NOKNMCXBLFNPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-7(4-2)10-13-14-11(19-10)15-6-8(5-9(15)16)20(12,17)18/h7-8H,3-6H2,1-2H3,(H2,12,17,18).
What are the key properties of 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).