N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C9H16N2O3S2 — CID 103414851

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H16N2O3S2/c1-4-9(3,6-12)11-16(13,14)8-5-10-7(2)15-8/h5,11-12H,4,6H2,1-3H3
InChIKeyDEGLWMUKTGYTGQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.89
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414851) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414851
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H16N2O3S2/c1-4-9(3,6-12)11-16(13,14)8-5-10-7(2)15-8/h5,11-12H,4,6H2,1-3H3
InChIKeyDEGLWMUKTGYTGQ-UHFFFAOYSA-N
XLogP0.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414851) is N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is CCC(C)(CO)NS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DEGLWMUKTGYTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-4-9(3,6-12)11-16(13,14)8-5-10-7(2)15-8/h5,11-12H,4,6H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).