N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide

C9H16N4O2S2 — CID 82176614

IUPACN-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nnc(C2CCCN2)s1
InChIInChI=1S/C9H16N4O2S2/c1-2-6-17(14,15)13-9-12-11-8(16-9)7-4-3-5-10-7/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyHSUBLKNGCSWVDU-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.11
Rot. Bonds5

About N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide

N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide (PubChem CID 82176614) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide
PubChem CID82176614
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC NameN-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nnc(C2CCCN2)s1
InChIInChI=1S/C9H16N4O2S2/c1-2-6-17(14,15)13-9-12-11-8(16-9)7-4-3-5-10-7/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyHSUBLKNGCSWVDU-UHFFFAOYSA-N
XLogP1.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide 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-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide (CID 82176614) is N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1nnc(C2CCCN2)s1.
What is the InChIKey of N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide?
The InChIKey is HSUBLKNGCSWVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-2-6-17(14,15)13-9-12-11-8(16-9)7-4-3-5-10-7/h7,10H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide?
N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide has a molecular weight of 276.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 82176614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).