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

C11H20N4O2S — CID 54930098

IUPAC5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-9-11(8-13-15-9)18(16,17)14-6-4-10-3-2-5-12-7-10/h8,10,12,14H,2-7H2,1H3,(H,13,15)
InChIKeyIJIGQJJMZMMNMX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.39
Rot. Bonds5

About 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54930098) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54930098
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-9-11(8-13-15-9)18(16,17)14-6-4-10-3-2-5-12-7-10/h8,10,12,14H,2-7H2,1H3,(H,13,15)
InChIKeyIJIGQJJMZMMNMX-UHFFFAOYSA-N
XLogP0.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912089
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
3,5-dimethyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60895350
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide (CID 54930098) is 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCC1CCCNC1.
What is the InChIKey of 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IJIGQJJMZMMNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9-11(8-13-15-9)18(16,17)14-6-4-10-3-2-5-12-7-10/h8,10,12,14H,2-7H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54930098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).