N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

C10H16N4O3S — CID 47363866

IUPACN-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O3S/c1-8(15)14-4-2-9(3-5-14)13-18(16,17)10-6-11-12-7-10/h6-7,9,13H,2-5H2,1H3,(H,11,12)
InChIKeyZKPGZXWZPXJUBS-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.30
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 47363866) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID47363866
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O3S/c1-8(15)14-4-2-9(3-5-14)13-18(16,17)10-6-11-12-7-10/h6-7,9,13H,2-5H2,1H3,(H,11,12)
InChIKeyZKPGZXWZPXJUBS-UHFFFAOYSA-N
XLogP-0.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (CID 47363866) is N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZKPGZXWZPXJUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-8(15)14-4-2-9(3-5-14)13-18(16,17)10-6-11-12-7-10/h6-7,9,13H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47363866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).