2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide

C11H19N3O3S — CID 133332314

IUPAC2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide
SMILESCC(C)(CCO)CNc1ncccc1S(N)(=O)=O
InChIInChI=1S/C11H19N3O3S/c1-11(2,5-7-15)8-14-10-9(18(12,16)17)4-3-6-13-10/h3-4,6,15H,5,7-8H2,1-2H3,(H,13,14)(H2,12,16,17)
InChIKeyLLHZWZVYBSWIFA-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.55
Rot. Bonds6

About 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide

2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide (PubChem CID 133332314) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide
PubChem CID133332314
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide
SMILESCC(C)(CCO)CNc1ncccc1S(N)(=O)=O
InChIInChI=1S/C11H19N3O3S/c1-11(2,5-7-15)8-14-10-9(18(12,16)17)4-3-6-13-10/h3-4,6,15H,5,7-8H2,1-2H3,(H,13,14)(H2,12,16,17)
InChIKeyLLHZWZVYBSWIFA-UHFFFAOYSA-N
XLogP0.55
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide?
The IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide (CID 133332314) is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide is CC(C)(CCO)CNc1ncccc1S(N)(=O)=O.
What is the InChIKey of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide?
The InChIKey is LLHZWZVYBSWIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-11(2,5-7-15)8-14-10-9(18(12,16)17)4-3-6-13-10/h3-4,6,15H,5,7-8H2,1-2H3,(H,13,14)(H2,12,16,17).
What are the key properties of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide?
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133332314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).