N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide

C16H24N2O3S — CID 112995596

IUPACN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-3-14-8-4-5-10-18(14)16(19)12-17-22(20,21)15-9-6-7-13(2)11-15/h6-7,9,11,14,17H,3-5,8,10,12H2,1-2H3
InChIKeyRGXQFSWLSWBGMY-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide (PubChem CID 112995596) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
PubChem CID112995596
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-3-14-8-4-5-10-18(14)16(19)12-17-22(20,21)15-9-6-7-13(2)11-15/h6-7,9,11,14,17H,3-5,8,10,12H2,1-2H3
InChIKeyRGXQFSWLSWBGMY-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995607
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 121186921
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86909188
3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109064909
(2S)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031216
(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031215
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide (CID 112995596) is N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide is CCC1CCCCN1C(=O)CNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The InChIKey is RGXQFSWLSWBGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-14-8-4-5-10-18(14)16(19)12-17-22(20,21)15-9-6-7-13(2)11-15/h6-7,9,11,14,17H,3-5,8,10,12H2,1-2H3.
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 112995596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).