4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide

C15H22N2O3S — CID 51218665

IUPAC4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-13-6-4-5-11-17(13)15(18)12-7-9-14(10-8-12)21(19,20)16-2/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyJCDOPYFJNIDHQZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.00
Rot. Bonds4

About 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide

4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide (PubChem CID 51218665) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
PubChem CID51218665
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-13-6-4-5-11-17(13)15(18)12-7-9-14(10-8-12)21(19,20)16-2/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyJCDOPYFJNIDHQZ-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 60574602
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31852345
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
(2-ethylpiperidin-1-yl)-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanone
CID 87000434
1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355685
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide (CID 51218665) is 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide is CCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
The InChIKey is JCDOPYFJNIDHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-13-6-4-5-11-17(13)15(18)12-7-9-14(10-8-12)21(19,20)16-2/h7-10,13,16H,3-6,11H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 51218665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).