3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline

C13H20N2O2S — CID 62332456

IUPAC3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCN(S(=O)(=O)c2cccc(N)c2)C(C)C1
InChIInChI=1S/C13H20N2O2S/c1-10-6-7-15(11(2)8-10)18(16,17)13-5-3-4-12(14)9-13/h3-5,9-11H,6-8,14H2,1-2H3
InChIKeyQEOCEVBSEISUMD-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.08
Rot. Bonds2

About 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline

3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline (PubChem CID 62332456) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
PubChem CID62332456
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCN(S(=O)(=O)c2cccc(N)c2)C(C)C1
InChIInChI=1S/C13H20N2O2S/c1-10-6-7-15(11(2)8-10)18(16,17)13-5-3-4-12(14)9-13/h3-5,9-11H,6-8,14H2,1-2H3
InChIKeyQEOCEVBSEISUMD-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
3-(2,3-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 127890904
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
5-(2,4-dimethylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 82844944
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
CID 62332105
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
3-chloro-2-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 55061755
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine
CID 62330241
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline (CID 62332456) is 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline is CC1CCN(S(=O)(=O)c2cccc(N)c2)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is QEOCEVBSEISUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-6-7-15(11(2)8-10)18(16,17)13-5-3-4-12(14)9-13/h3-5,9-11H,6-8,14H2,1-2H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline?
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 62332456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).