N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide

C16H24N2O3S — CID 51096518

IUPACN-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
SMILESCCC1CCCN(C(=O)c2ccccc2NS(=O)(=O)CC)C1
InChIInChI=1S/C16H24N2O3S/c1-3-13-8-7-11-18(12-13)16(19)14-9-5-6-10-15(14)17-22(20,21)4-2/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyADMHPWAYYSDDJG-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide

N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide (PubChem CID 51096518) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
PubChem CID51096518
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
SMILESCCC1CCCN(C(=O)c2ccccc2NS(=O)(=O)CC)C1
InChIInChI=1S/C16H24N2O3S/c1-3-13-8-7-11-18(12-13)16(19)14-9-5-6-10-15(14)17-22(20,21)4-2/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyADMHPWAYYSDDJG-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119398279
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 51163973
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide (CID 51096518) is N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide is CCC1CCCN(C(=O)c2ccccc2NS(=O)(=O)CC)C1.
What is the InChIKey of N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is ADMHPWAYYSDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-13-8-7-11-18(12-13)16(19)14-9-5-6-10-15(14)17-22(20,21)4-2/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 51096518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).