3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline

C14H22N2O3S — CID 102955371

IUPAC3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
SMILESCOC1CCCN(S(=O)(=O)c2cc(C)cc(N)c2C)C1
InChIInChI=1S/C14H22N2O3S/c1-10-7-13(15)11(2)14(8-10)20(17,18)16-6-4-5-12(9-16)19-3/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeyNUBJRLUBPVVSAE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.69
Rot. Bonds3

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

3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline (PubChem CID 102955371) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
PubChem CID102955371
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
SMILESCOC1CCCN(S(=O)(=O)c2cc(C)cc(N)c2C)C1
InChIInChI=1S/C14H22N2O3S/c1-10-7-13(15)11(2)14(8-10)20(17,18)16-6-4-5-12(9-16)19-3/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeyNUBJRLUBPVVSAE-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.69
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

3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79888899
3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106505482
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 103530363
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 102971771
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
2-bromo-5-chloro-3-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955319
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine
CID 102955337
3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylaniline
CID 103530274
[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 102971809

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline (CID 102955371) is 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline is COC1CCCN(S(=O)(=O)c2cc(C)cc(N)c2C)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
The InChIKey is NUBJRLUBPVVSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-7-13(15)11(2)14(8-10)20(17,18)16-6-4-5-12(9-16)19-3/h7-8,12H,4-6,9,15H2,1-3H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline has a molecular weight of 298.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline is sourced from PubChem (CID 102955371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).