4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide

C17H26N2O3S — CID 1090373

IUPAC4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-14(2)18-23(21,22)16-9-6-15(7-10-16)8-11-17(20)19-12-4-3-5-13-19/h6-7,9-10,14,18H,3-5,8,11-13H2,1-2H3
InChIKeyKLGXCNQNMPCUOF-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.32
Rot. Bonds6

About 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide

4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 1090373) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID1090373
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-14(2)18-23(21,22)16-9-6-15(7-10-16)8-11-17(20)19-12-4-3-5-13-19/h6-7,9-10,14,18H,3-5,8,11-13H2,1-2H3
InChIKeyKLGXCNQNMPCUOF-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 1090373) is 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KLGXCNQNMPCUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(2)18-23(21,22)16-9-6-15(7-10-16)8-11-17(20)19-12-4-3-5-13-19/h6-7,9-10,14,18H,3-5,8,11-13H2,1-2H3.
What are the key properties of 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1090373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).