5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride

C11H16FN3O3S2 — CID 168713672

IUPAC5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
SMILESCCCCCc1nnc(N2CC(S(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C11H16FN3O3S2/c1-2-3-4-5-9-13-14-11(19-9)15-7-8(6-10(15)16)20(12,17)18/h8H,2-7H2,1H3
InChIKeyFRXJODXPZGKMFD-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.68
Rot. Bonds6

About 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713672) has the molecular formula C11H16FN3O3S2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168713672
Molecular FormulaC11H16FN3O3S2
Molecular Weight321.40 g/mol
Exact Mass321.06
IUPAC Name5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
SMILESCCCCCc1nnc(N2CC(S(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C11H16FN3O3S2/c1-2-3-4-5-9-13-14-11(19-9)15-7-8(6-10(15)16)20(12,17)18/h8H,2-7H2,1H3
InChIKeyFRXJODXPZGKMFD-UHFFFAOYSA-N
XLogP1.68
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717006
1-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662078
[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675297
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081
5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168716987
4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 168713811
[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672891
4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
CID 155509761
1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717128
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662204
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154823517
5-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-sulfonyl chloride
CID 168713007

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride (CID 168713672) is 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride is CCCCCc1nnc(N2CC(S(=O)(=O)F)CC2=O)s1.
What is the InChIKey of 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is FRXJODXPZGKMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S2/c1-2-3-4-5-9-13-14-11(19-9)15-7-8(6-10(15)16)20(12,17)18/h8H,2-7H2,1H3.
What are the key properties of 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 321.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).