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

C11H18N4O3S — CID 47267957

IUPACN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)C(=O)N1CCCCC1
InChIInChI=1S/C11H18N4O3S/c1-9(11(16)15-5-3-2-4-6-15)14-19(17,18)10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13)
InChIKeyYSSSKWALELMZDA-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.09
Rot. Bonds4

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

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267957) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID47267957
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)C(=O)N1CCCCC1
InChIInChI=1S/C11H18N4O3S/c1-9(11(16)15-5-3-2-4-6-15)14-19(17,18)10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13)
InChIKeyYSSSKWALELMZDA-UHFFFAOYSA-N
XLogP0.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 47267957) is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1)C(=O)N1CCCCC1.
What is the InChIKey of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YSSSKWALELMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-9(11(16)15-5-3-2-4-6-15)14-19(17,18)10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).