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

C8H14N2O3S2 — CID 103414824

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)(C)CO)s1
InChIInChI=1S/C8H14N2O3S2/c1-6-9-4-7(14-6)15(12,13)10-8(2,3)5-11/h4,10-11H,5H2,1-3H3
InChIKeyYIROEQDGJNDDBD-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.50
Rot. Bonds4

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

N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414824) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414824
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)(C)CO)s1
InChIInChI=1S/C8H14N2O3S2/c1-6-9-4-7(14-6)15(12,13)10-8(2,3)5-11/h4,10-11H,5H2,1-3H3
InChIKeyYIROEQDGJNDDBD-UHFFFAOYSA-N
XLogP0.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.50
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-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414824) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC(C)(C)CO)s1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YIROEQDGJNDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S2/c1-6-9-4-7(14-6)15(12,13)10-8(2,3)5-11/h4,10-11H,5H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 250.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).