N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide

C12H22N4O2S — CID 47292297

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cn[nH]c1)CN1CCCCC1
InChIInChI=1S/C12H22N4O2S/c1-11(10-16-5-3-2-4-6-16)7-15-19(17,18)12-8-13-14-9-12/h8-9,11,15H,2-7,10H2,1H3,(H,13,14)
InChIKeyYIUUNXOWJAGROG-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.81
Rot. Bonds6

About N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide

N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47292297) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID47292297
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cn[nH]c1)CN1CCCCC1
InChIInChI=1S/C12H22N4O2S/c1-11(10-16-5-3-2-4-6-16)7-15-19(17,18)12-8-13-14-9-12/h8-9,11,15H,2-7,10H2,1H3,(H,13,14)
InChIKeyYIUUNXOWJAGROG-UHFFFAOYSA-N
XLogP0.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide (CID 47292297) is N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide is CC(CNS(=O)(=O)c1cn[nH]c1)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YIUUNXOWJAGROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-11(10-16-5-3-2-4-6-16)7-15-19(17,18)12-8-13-14-9-12/h8-9,11,15H,2-7,10H2,1H3,(H,13,14).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47292297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).