5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide

C8H16N4O4S2 — CID 79552513

IUPAC5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cn[nH]c1N)S(C)(=O)=O
InChIInChI=1S/C8H16N4O4S2/c1-8(2,17(3,13)14)5-11-18(15,16)6-4-10-12-7(6)9/h4,11H,5H2,1-3H3,(H3,9,10,12)
InChIKeySKEWDPMYYUWXRM-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.91
Rot. Bonds5

About 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 79552513) has the molecular formula C8H16N4O4S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID79552513
Molecular FormulaC8H16N4O4S2
Molecular Weight296.37 g/mol
Exact Mass296.06
IUPAC Name5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cn[nH]c1N)S(C)(=O)=O
InChIInChI=1S/C8H16N4O4S2/c1-8(2,17(3,13)14)5-11-18(15,16)6-4-10-12-7(6)9/h4,11H,5H2,1-3H3,(H3,9,10,12)
InChIKeySKEWDPMYYUWXRM-UHFFFAOYSA-N
XLogP-0.91
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
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
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-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide (CID 79552513) is 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide is CC(C)(CNS(=O)(=O)c1cn[nH]c1N)S(C)(=O)=O.
What is the InChIKey of 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SKEWDPMYYUWXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4S2/c1-8(2,17(3,13)14)5-11-18(15,16)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-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79552513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).