5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide

C16H24N2O3S — CID 95382756

IUPAC5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
SMILESCC[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C16H24N2O3S/c1-4-13-7-5-6-8-18(13)16(19)14-10-15(22(17,20)21)12(3)9-11(14)2/h9-10,13H,4-8H2,1-3H3,(H2,17,20,21)/t13-/m1/s1
InChIKeyCAWZEJJJKIHHOV-CYBMUJFWSA-N
MW324.45 g/mol
LogP2.36
Rot. Bonds3

About 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide

5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 95382756) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
PubChem CID95382756
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
SMILESCC[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C16H24N2O3S/c1-4-13-7-5-6-8-18(13)16(19)14-10-15(22(17,20)21)12(3)9-11(14)2/h9-10,13H,4-8H2,1-3H3,(H2,17,20,21)/t13-/m1/s1
InChIKeyCAWZEJJJKIHHOV-CYBMUJFWSA-N
XLogP2.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
(2-ethylazepan-1-yl)-(4-hydrazinyl-2-methylphenyl)methanone
CID 104691843
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388766
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
(5-amino-2,4-dimethylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210096
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 97067605

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide (CID 95382756) is 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide is CC[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(C)cc1C.
What is the InChIKey of 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is CAWZEJJJKIHHOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-13-7-5-6-8-18(13)16(19)14-10-15(22(17,20)21)12(3)9-11(14)2/h9-10,13H,4-8H2,1-3H3,(H2,17,20,21)/t13-/m1/s1.
What are the key properties of 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 95382756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).