N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide

C13H18N2O3S — CID 23394255

IUPACN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CCCC(NS(C)(=O)=O)C2=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-5-7-11(8-6-10)15-9-3-4-12(13(15)16)14-19(2,17)18/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyCYVBKAVUOLWRHW-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.04
Rot. Bonds3

About N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide

N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 23394255) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID23394255
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CCCC(NS(C)(=O)=O)C2=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-5-7-11(8-6-10)15-9-3-4-12(13(15)16)14-19(2,17)18/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyCYVBKAVUOLWRHW-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 23394255) is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide is Cc1ccc(N2CCCC(NS(C)(=O)=O)C2=O)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is CYVBKAVUOLWRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-5-7-11(8-6-10)15-9-3-4-12(13(15)16)14-19(2,17)18/h5-8,12,14H,3-4,9H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide?
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 23394255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).