N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H20N2O3S2 — CID 55261932

IUPACN-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H20N2O3S2/c1-5-9(6-2)7(3)13-18(15,16)10-8(4)12-11(14)17-10/h7,9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyXBHXSGCETKICCO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.85
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 55261932) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID55261932
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H20N2O3S2/c1-5-9(6-2)7(3)13-18(15,16)10-8(4)12-11(14)17-10/h7,9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyXBHXSGCETKICCO-UHFFFAOYSA-N
XLogP1.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-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-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 55261932) is N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(CC)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XBHXSGCETKICCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-5-9(6-2)7(3)13-18(15,16)10-8(4)12-11(14)17-10/h7,9,13H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55261932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).