N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide

C11H20N2O3S2 — CID 11645007

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)CC)n1
InChIInChI=1S/C11H20N2O3S2/c1-4-11(14,5-2)7-9-8-17-10(12-9)13-18(15,16)6-3/h8,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyXVJGJPLNGQMLBB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.00
Rot. Bonds7

About N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide (PubChem CID 11645007) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide
PubChem CID11645007
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)CC)n1
InChIInChI=1S/C11H20N2O3S2/c1-4-11(14,5-2)7-9-8-17-10(12-9)13-18(15,16)6-3/h8,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyXVJGJPLNGQMLBB-UHFFFAOYSA-N
XLogP2.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide 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-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide (CID 11645007) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)CC)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide?
The InChIKey is XVJGJPLNGQMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-11(14,5-2)7-9-8-17-10(12-9)13-18(15,16)6-3/h8,14H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide has a molecular weight of 292.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]ethanesulfonamide is sourced from PubChem (CID 11645007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).