N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide

C10H18N4O2S — CID 54936974

IUPACN-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)C1CCNCC1
InChIInChI=1S/C10H18N4O2S/c1-8(9-2-4-11-5-3-9)14-17(15,16)10-6-12-13-7-10/h6-9,11,14H,2-5H2,1H3,(H,12,13)
InChIKeyWUJLYMAYSOFYRH-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.08
Rot. Bonds4

About N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide

N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54936974) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54936974
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)C1CCNCC1
InChIInChI=1S/C10H18N4O2S/c1-8(9-2-4-11-5-3-9)14-17(15,16)10-6-12-13-7-10/h6-9,11,14H,2-5H2,1H3,(H,12,13)
InChIKeyWUJLYMAYSOFYRH-UHFFFAOYSA-N
XLogP0.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide (CID 54936974) is N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1)C1CCNCC1.
What is the InChIKey of N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WUJLYMAYSOFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8(9-2-4-11-5-3-9)14-17(15,16)10-6-12-13-7-10/h6-9,11,14H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54936974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).