N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide

C10H18N4O3S — CID 63871314

IUPACN-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCOC1CCNCC1)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c15-18(16,10-7-12-13-8-10)14-5-6-17-9-1-3-11-4-2-9/h7-9,11,14H,1-6H2,(H,12,13)
InChIKeyNUUOFWHZONISPG-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.54
Rot. Bonds6

About N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide

N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 63871314) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
PubChem CID63871314
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCOC1CCNCC1)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c15-18(16,10-7-12-13-8-10)14-5-6-17-9-1-3-11-4-2-9/h7-9,11,14H,1-6H2,(H,12,13)
InChIKeyNUUOFWHZONISPG-UHFFFAOYSA-N
XLogP-0.54
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide (CID 63871314) is N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCOC1CCNCC1)c1cn[nH]c1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NUUOFWHZONISPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c15-18(16,10-7-12-13-8-10)14-5-6-17-9-1-3-11-4-2-9/h7-9,11,14H,1-6H2,(H,12,13).
What are the key properties of N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide?
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63871314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).