2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide

C11H20N4O2S — CID 104709831

IUPAC2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCC1CCCCN1
InChIInChI=1S/C11H20N4O2S/c1-15-11(6-8-13-15)18(16,17)14-9-5-10-4-2-3-7-12-10/h6,8,10,12,14H,2-5,7,9H2,1H3
InChIKeyRKSZAFZINKPBFY-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.23
Rot. Bonds5

About 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide

2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide (PubChem CID 104709831) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide
PubChem CID104709831
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCC1CCCCN1
InChIInChI=1S/C11H20N4O2S/c1-15-11(6-8-13-15)18(16,17)14-9-5-10-4-2-3-7-12-10/h6,8,10,12,14H,2-5,7,9H2,1H3
InChIKeyRKSZAFZINKPBFY-UHFFFAOYSA-N
XLogP0.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide (CID 104709831) is 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCCC1CCCCN1.
What is the InChIKey of 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
The InChIKey is RKSZAFZINKPBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-11(6-8-13-15)18(16,17)14-9-5-10-4-2-3-7-12-10/h6,8,10,12,14H,2-5,7,9H2,1H3.
What are the key properties of 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104709831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).