5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide

C8H16N4O3S — CID 104758545

IUPAC5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O3S/c1-8(2,15-3)5-11-16(13,14)6-4-10-12-7(6)9/h4,11H,5H2,1-3H3,(H3,9,10,12)
InChIKeyAAKPQSXKXTUWDB-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.30
Rot. Bonds5

About 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 104758545) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID104758545
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O3S/c1-8(2,15-3)5-11-16(13,14)6-4-10-12-7(6)9/h4,11H,5H2,1-3H3,(H3,9,10,12)
InChIKeyAAKPQSXKXTUWDB-UHFFFAOYSA-N
XLogP-0.30
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79552513
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61282417
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-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide (CID 104758545) is 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide is COC(C)(C)CNS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AAKPQSXKXTUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-8(2,15-3)5-11-16(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-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 104758545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).