N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide

C11H20N4O2S — CID 104620642

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCCc1cc(NS(=O)(=O)N2CCCCC2C)n[nH]1
InChIInChI=1S/C11H20N4O2S/c1-3-10-8-11(13-12-10)14-18(16,17)15-7-5-4-6-9(15)2/h8-9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyJCABKISKTDRCNA-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.50
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide (PubChem CID 104620642) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide
PubChem CID104620642
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCCc1cc(NS(=O)(=O)N2CCCCC2C)n[nH]1
InChIInChI=1S/C11H20N4O2S/c1-3-10-8-11(13-12-10)14-18(16,17)15-7-5-4-6-9(15)2/h8-9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyJCABKISKTDRCNA-UHFFFAOYSA-N
XLogP1.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide (CID 104620642) is N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide is CCc1cc(NS(=O)(=O)N2CCCCC2C)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is JCABKISKTDRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-10-8-11(13-12-10)14-18(16,17)15-7-5-4-6-9(15)2/h8-9H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104620642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).