N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide

C8H15N3O2S2 — CID 2963213

IUPACN-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCCCC(C)c1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S2/c1-4-5-6(2)7-9-10-8(14-7)11-15(3,12)13/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyAHBLXQZDNPVMHC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds5

About N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide

N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 2963213) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID2963213
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCCCC(C)c1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S2/c1-4-5-6(2)7-9-10-8(14-7)11-15(3,12)13/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyAHBLXQZDNPVMHC-UHFFFAOYSA-N
XLogP1.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide 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-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 2963213) is N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide is CCCC(C)c1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is AHBLXQZDNPVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-4-5-6(2)7-9-10-8(14-7)11-15(3,12)13/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 2963213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).