5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide

C11H18N4O3S — CID 112690581

IUPAC5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C11H18N4O3S/c1-9-10(7-12-14-9)19(17,18)13-8-11(16)15-5-3-2-4-6-15/h7,13H,2-6,8H2,1H3,(H,12,14)
InChIKeyQFJNWGVVICLGTO-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.01
Rot. Bonds4

About 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 112690581) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID112690581
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C11H18N4O3S/c1-9-10(7-12-14-9)19(17,18)13-8-11(16)15-5-3-2-4-6-15/h7,13H,2-6,8H2,1H3,(H,12,14)
InChIKeyQFJNWGVVICLGTO-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide (CID 112690581) is 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QFJNWGVVICLGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-9-10(7-12-14-9)19(17,18)13-8-11(16)15-5-3-2-4-6-15/h7,13H,2-6,8H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112690581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).