4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline

C13H20N2O2S — CID 2920428

IUPAC4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5,14H2,1-2H3
InChIKeyLOGKPRHLSMFTHZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.22
Rot. Bonds2

About 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline

4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline (PubChem CID 2920428) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
PubChem CID2920428
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5,14H2,1-2H3
InChIKeyLOGKPRHLSMFTHZ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
5-(2,6-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62149622
2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168513063
2-bromo-5-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 115328626
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
CID 43093346
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
CID 104969055
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanethioamide
CID 104967500

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline (CID 2920428) is 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline is CC1CCCC(C)N1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is LOGKPRHLSMFTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5,14H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline?
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 2920428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).