N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

C8H16N4O2S — CID 102694134

IUPACN-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(CN)C(C)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-6(5-9)7(2)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5,9H2,1-2H3,(H,10,11)
InChIKeyVHFYLHYKQBFHQQ-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.33
Rot. Bonds5

About N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102694134) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102694134
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(CN)C(C)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-6(5-9)7(2)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5,9H2,1-2H3,(H,10,11)
InChIKeyVHFYLHYKQBFHQQ-UHFFFAOYSA-N
XLogP-0.33
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
CID 102690413
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(1-amino-2-methylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102690411
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102694134) is N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CC(CN)C(C)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is VHFYLHYKQBFHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-6(5-9)7(2)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5,9H2,1-2H3,(H,10,11).
What are the key properties of N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102694134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).