N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide

C16H28N4O3S — CID 8901168

IUPACN-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(=O)N2CCCCC2)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C16H28N4O3S/c1-12-15(24(22,23)18-16(3,4)5)13(2)20(17-12)11-14(21)19-9-7-6-8-10-19/h18H,6-11H2,1-5H3
InChIKeyHUDZBGCKGWCDLR-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.59
Rot. Bonds4

About N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide

N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide (PubChem CID 8901168) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
PubChem CID8901168
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC NameN-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(=O)N2CCCCC2)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C16H28N4O3S/c1-12-15(24(22,23)18-16(3,4)5)13(2)20(17-12)11-14(21)19-9-7-6-8-10-19/h18H,6-11H2,1-5H3
InChIKeyHUDZBGCKGWCDLR-UHFFFAOYSA-N
XLogP1.59
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide (CID 8901168) is N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide is Cc1nn(CC(=O)N2CCCCC2)c(C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is HUDZBGCKGWCDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-12-15(24(22,23)18-16(3,4)5)13(2)20(17-12)11-14(21)19-9-7-6-8-10-19/h18H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 8901168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).