2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide

C10H17N3O3S — CID 79381363

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C10H17N3O3S/c1-10(2,14)7-13(3)17(15,16)8-5-4-6-12-9(8)11/h4-6,14H,7H2,1-3H3,(H2,11,12)
InChIKeyMMPYHHNZYKLVAJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.06
Rot. Bonds4

About 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide

2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide (PubChem CID 79381363) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
PubChem CID79381363
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C10H17N3O3S/c1-10(2,14)7-13(3)17(15,16)8-5-4-6-12-9(8)11/h4-6,14H,7H2,1-3H3,(H2,11,12)
InChIKeyMMPYHHNZYKLVAJ-UHFFFAOYSA-N
XLogP0.06
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide (CID 79381363) is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is MMPYHHNZYKLVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,14)7-13(3)17(15,16)8-5-4-6-12-9(8)11/h4-6,14H,7H2,1-3H3,(H2,11,12).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 79381363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).