N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide

C15H19N3O3S — CID 133466308

IUPACN-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide
SMILESCC(=O)c1ccc(C#N)cc1N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C15H19N3O3S/c1-11(19)14-4-3-12(10-16)9-15(14)18-7-5-13(6-8-18)17-22(2,20)21/h3-4,9,13,17H,5-8H2,1-2H3
InChIKeyZCLUBMRHSORAFG-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.28
Rot. Bonds4

About N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide

N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide (PubChem CID 133466308) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide
PubChem CID133466308
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide
SMILESCC(=O)c1ccc(C#N)cc1N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C15H19N3O3S/c1-11(19)14-4-3-12(10-16)9-15(14)18-7-5-13(6-8-18)17-22(2,20)21/h3-4,9,13,17H,5-8H2,1-2H3
InChIKeyZCLUBMRHSORAFG-UHFFFAOYSA-N
XLogP1.28
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide (CID 133466308) is N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide is CC(=O)c1ccc(C#N)cc1N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is ZCLUBMRHSORAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11(19)14-4-3-12(10-16)9-15(14)18-7-5-13(6-8-18)17-22(2,20)21/h3-4,9,13,17H,5-8H2,1-2H3.
What are the key properties of N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetyl-5-cyanophenyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 133466308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).