1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine

C14H22N2O2S — CID 79867451

IUPAC1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-4-5-14(11(2)8-10)19(17,18)16-7-6-13(15)12(3)9-16/h4-5,8,12-13H,6-7,9,15H2,1-3H3
InChIKeyZTONKVNGTAMJLO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.66
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine

1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine (PubChem CID 79867451) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
PubChem CID79867451
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-4-5-14(11(2)8-10)19(17,18)16-7-6-13(15)12(3)9-16/h4-5,8,12-13H,6-7,9,15H2,1-3H3
InChIKeyZTONKVNGTAMJLO-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
3-(4-amino-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile;hydrochloride
CID 119984082
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984054
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine (CID 79867451) is 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The InChIKey is ZTONKVNGTAMJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-4-5-14(11(2)8-10)19(17,18)16-7-6-13(15)12(3)9-16/h4-5,8,12-13H,6-7,9,15H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine?
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine has a molecular weight of 282.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 79867451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).