2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline

C14H22N2O2S — CID 62332105

IUPAC2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
SMILESCc1cccc(N)c1S(=O)(=O)N1CCC(C)CC1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-16(12(3)9-10)19(17,18)14-11(2)5-4-6-13(14)15/h4-6,10,12H,7-9,15H2,1-3H3
InChIKeyXCUHIQJJPXVZIU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.39
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline

2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline (PubChem CID 62332105) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
PubChem CID62332105
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
SMILESCc1cccc(N)c1S(=O)(=O)N1CCC(C)CC1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-16(12(3)9-10)19(17,18)14-11(2)5-4-6-13(14)15/h4-6,10,12H,7-9,15H2,1-3H3
InChIKeyXCUHIQJJPXVZIU-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.39
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

3-chloro-2-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 55061755
3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111021
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-methylaniline
CID 82746459
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
2-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-methylaniline
CID 63604384
1-(2-bromo-6-chlorophenyl)sulfonyl-2,4-dimethylpiperidine
CID 114269439
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
CID 104688760
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-methylaniline
CID 63971698
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-3-methylaniline
CID 115558739
2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171849
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018
1-[4-(2-amino-6-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 43452392

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline (CID 62332105) is 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline is Cc1cccc(N)c1S(=O)(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline?
The InChIKey is XCUHIQJJPXVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-8-16(12(3)9-10)19(17,18)14-11(2)5-4-6-13(14)15/h4-6,10,12H,7-9,15H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline?
2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline is sourced from PubChem (CID 62332105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).