5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

C11H19N5O3S — CID 61112688

IUPAC5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1N)C(=O)N1CCCCC1
InChIInChI=1S/C11H19N5O3S/c1-8(11(17)16-5-3-2-4-6-16)15-20(18,19)9-7-13-14-10(9)12/h7-8,15H,2-6H2,1H3,(H3,12,13,14)
InChIKeyGAVWJQNSWALTEP-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.33
Rot. Bonds4

About 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61112688) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61112688
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1N)C(=O)N1CCCCC1
InChIInChI=1S/C11H19N5O3S/c1-8(11(17)16-5-3-2-4-6-16)15-20(18,19)9-7-13-14-10(9)12/h7-8,15H,2-6H2,1H3,(H3,12,13,14)
InChIKeyGAVWJQNSWALTEP-UHFFFAOYSA-N
XLogP-0.33
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 61112688) is 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1N)C(=O)N1CCCCC1.
What is the InChIKey of 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GAVWJQNSWALTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-8(11(17)16-5-3-2-4-6-16)15-20(18,19)9-7-13-14-10(9)12/h7-8,15H,2-6H2,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61112688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).