4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline

C13H20N2O2S — CID 2956918

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C13H20N2O2S/c1-10-7-11(2)9-15(8-10)18(16,17)13-5-3-12(14)4-6-13/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyCRYNHMDLCOBJQA-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.94
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline

4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline (PubChem CID 2956918) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
PubChem CID2956918
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C13H20N2O2S/c1-10-7-11(2)9-15(8-10)18(16,17)13-5-3-12(14)4-6-13/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyCRYNHMDLCOBJQA-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline (CID 2956918) is 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline is CC1CC(C)CN(S(=O)(=O)c2ccc(N)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is CRYNHMDLCOBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-7-11(2)9-15(8-10)18(16,17)13-5-3-12(14)4-6-13/h3-6,10-11H,7-9,14H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline?
4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 268.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 2956918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).