N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide

C10H16N4O3S2 — CID 22517583

IUPACN-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C10H16N4O3S2/c1-2-5-8(15)11-9-12-13-10(18-9)19(16,17)14-6-3-4-7-14/h2-7H2,1H3,(H,11,12,15)
InChIKeyGBKACRNYXMOYPO-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.06
Rot. Bonds5

About N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide

N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 22517583) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID22517583
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC NameN-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C10H16N4O3S2/c1-2-5-8(15)11-9-12-13-10(18-9)19(16,17)14-6-3-4-7-14/h2-7H2,1H3,(H,11,12,15)
InChIKeyGBKACRNYXMOYPO-UHFFFAOYSA-N
XLogP1.06
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide (CID 22517583) is N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is GBKACRNYXMOYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-2-5-8(15)11-9-12-13-10(18-9)19(16,17)14-6-3-4-7-14/h2-7H2,1H3,(H,11,12,15).
What are the key properties of N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 304.40 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 22517583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).