4-(4-ethoxypiperidin-1-yl)sulfonylaniline

C13H20N2O3S — CID 61219591

IUPAC4-(4-ethoxypiperidin-1-yl)sulfonylaniline
SMILESCCOC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-2-18-12-7-9-15(10-8-12)19(16,17)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10,14H2,1H3
InChIKeyXFDACJUGTHUJMX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.46
Rot. Bonds4

About 4-(4-ethoxypiperidin-1-yl)sulfonylaniline

4-(4-ethoxypiperidin-1-yl)sulfonylaniline (PubChem CID 61219591) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)sulfonylaniline
PubChem CID61219591
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(4-ethoxypiperidin-1-yl)sulfonylaniline
SMILESCCOC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-2-18-12-7-9-15(10-8-12)19(16,17)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10,14H2,1H3
InChIKeyXFDACJUGTHUJMX-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.46
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

1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217736
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
5-amino-2-(4-ethoxypiperidin-1-yl)sulfonylbenzonitrile
CID 61219773
[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329704
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992789
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)sulfonylaniline (CID 61219591) is 4-(4-ethoxypiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)sulfonylaniline is CCOC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)sulfonylaniline?
The InChIKey is XFDACJUGTHUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-18-12-7-9-15(10-8-12)19(16,17)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10,14H2,1H3.
What are the key properties of 4-(4-ethoxypiperidin-1-yl)sulfonylaniline?
4-(4-ethoxypiperidin-1-yl)sulfonylaniline has a molecular weight of 284.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 61219591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).