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

C13H24N2O3S2 — CID 11645453

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C13H24N2O3S2/c1-6-13(16,7-2)8-10-9-19-11(14-10)15-20(17,18)12(3,4)5/h9,16H,6-8H2,1-5H3,(H,14,15)
InChIKeyMGJHBRFKFSZLHR-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.78
Rot. Bonds6

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

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 11645453) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID11645453
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C13H24N2O3S2/c1-6-13(16,7-2)8-10-9-19-11(14-10)15-20(17,18)12(3,4)5/h9,16H,6-8H2,1-5H3,(H,14,15)
InChIKeyMGJHBRFKFSZLHR-UHFFFAOYSA-N
XLogP2.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide (CID 11645453) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)C(C)(C)C)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is MGJHBRFKFSZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-6-13(16,7-2)8-10-9-19-11(14-10)15-20(17,18)12(3,4)5/h9,16H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 2.78, 6 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]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 11645453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).