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

C11H20N4O2S — CID 54937020

IUPACN-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCN(CCC1CCNCC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O2S/c1-15(7-4-10-2-5-12-6-3-10)18(16,17)11-8-13-14-9-11/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyCHQSWJCMTLNJHC-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.42
Rot. Bonds5

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

N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54937020) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54937020
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCN(CCC1CCNCC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O2S/c1-15(7-4-10-2-5-12-6-3-10)18(16,17)11-8-13-14-9-11/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyCHQSWJCMTLNJHC-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide (CID 54937020) is N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide is CN(CCC1CCNCC1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CHQSWJCMTLNJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15(7-4-10-2-5-12-6-3-10)18(16,17)11-8-13-14-9-11/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-4-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).