5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide

C8H16N4O2S — CID 61168845

IUPAC5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O2S/c1-8(2,3)5-11-15(13,14)6-4-10-12-7(6)9/h4,11H,5H2,1-3H3,(H3,9,10,12)
InChIKeyXGCOSWFAESBYLL-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.32
Rot. Bonds3

About 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61168845) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID61168845
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O2S/c1-8(2,3)5-11-15(13,14)6-4-10-12-7(6)9/h4,11H,5H2,1-3H3,(H3,9,10,12)
InChIKeyXGCOSWFAESBYLL-UHFFFAOYSA-N
XLogP0.32
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79552513
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925
5-amino-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106327836
5-amino-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 114174781
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
CID 107316396
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809282
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-2-methylpropanamide
CID 61211264

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide (CID 61168845) is 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide is CC(C)(C)CNS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is XGCOSWFAESBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-8(2,3)5-11-15(13,14)6-4-10-12-7(6)9/h4,11H,5H2,1-3H3,(H3,9,10,12).
What are the key properties of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61168845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).