N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide

C15H26N4O3S — CID 164629019

IUPACN-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2ccnn2C(C)C)C1
InChIInChI=1S/C15H26N4O3S/c1-11(2)15(20)18-9-5-6-13(10-18)17-23(21,22)14-7-8-16-19(14)12(3)4/h7-8,11-13,17H,5-6,9-10H2,1-4H3/t13-/m0/s1
InChIKeyBAIKOFQDJJUTJG-ZDUSSCGKSA-N
MW342.47 g/mol
LogP1.39
Rot. Bonds5

About N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide

N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 164629019) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
PubChem CID164629019
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2ccnn2C(C)C)C1
InChIInChI=1S/C15H26N4O3S/c1-11(2)15(20)18-9-5-6-13(10-18)17-23(21,22)14-7-8-16-19(14)12(3)4/h7-8,11-13,17H,5-6,9-10H2,1-4H3/t13-/m0/s1
InChIKeyBAIKOFQDJJUTJG-ZDUSSCGKSA-N
XLogP1.39
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide (CID 164629019) is N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide is CC(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2ccnn2C(C)C)C1.
What is the InChIKey of N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is BAIKOFQDJJUTJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-11(2)15(20)18-9-5-6-13(10-18)17-23(21,22)14-7-8-16-19(14)12(3)4/h7-8,11-13,17H,5-6,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide?
N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 164629019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).