5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline

C14H22N2O2S — CID 53410173

IUPAC5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline
SMILESCCC1CCCCN1c1ccc(S(C)(=O)=O)c(N)c1
InChIInChI=1S/C14H22N2O2S/c1-3-11-6-4-5-9-16(11)12-7-8-14(13(15)10-12)19(2,17)18/h7-8,10-11H,3-6,9,15H2,1-2H3
InChIKeyQISDNMCUWABZBW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.44
Rot. Bonds3

About 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline

5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline (PubChem CID 53410173) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline
PubChem CID53410173
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline
SMILESCCC1CCCCN1c1ccc(S(C)(=O)=O)c(N)c1
InChIInChI=1S/C14H22N2O2S/c1-3-11-6-4-5-9-16(11)12-7-8-14(13(15)10-12)19(2,17)18/h7-8,10-11H,3-6,9,15H2,1-2H3
InChIKeyQISDNMCUWABZBW-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline
CID 86323809
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297
3-(2-ethylpiperidin-1-yl)-5-methoxyaniline
CID 80721846
(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114066011

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline (CID 53410173) is 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline is CCC1CCCCN1c1ccc(S(C)(=O)=O)c(N)c1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline?
The InChIKey is QISDNMCUWABZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-11-6-4-5-9-16(11)12-7-8-14(13(15)10-12)19(2,17)18/h7-8,10-11H,3-6,9,15H2,1-2H3.
What are the key properties of 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline?
5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline is sourced from PubChem (CID 53410173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).