4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline

C15H24N2O2S — CID 79588507

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
SMILESCCC1CCCCN1S(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C15H24N2O2S/c1-4-14-7-5-6-8-17(14)20(18,19)15-11(2)9-13(16)10-12(15)3/h9-10,14H,4-8,16H2,1-3H3
InChIKeyWBVVCFVTRQKXHN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.84
Rot. Bonds3

About 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline

4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline (PubChem CID 79588507) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
PubChem CID79588507
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
SMILESCCC1CCCCN1S(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C15H24N2O2S/c1-4-14-7-5-6-8-17(14)20(18,19)15-11(2)9-13(16)10-12(15)3/h9-10,14H,4-8,16H2,1-3H3
InChIKeyWBVVCFVTRQKXHN-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylpiperidin-1-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80646546
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
CID 104688760
4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56923137
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-dimethylaniline
CID 82751740
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
CID 7046169
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
3-(2-ethylazepan-1-yl)sulfonyl-4-methoxyaniline
CID 104688731
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
3-bromo-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882786

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline (CID 79588507) is 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline is CCC1CCCCN1S(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline?
The InChIKey is WBVVCFVTRQKXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-14-7-5-6-8-17(14)20(18,19)15-11(2)9-13(16)10-12(15)3/h9-10,14H,4-8,16H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline?
4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline is sourced from PubChem (CID 79588507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).