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

C15H24N2O2S — CID 81458322

IUPAC1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(C)cc2C)CCC1N
InChIInChI=1S/C15H24N2O2S/c1-4-13-10-17(8-7-14(13)16)20(18,19)15-6-5-11(2)9-12(15)3/h5-6,9,13-14H,4,7-8,10,16H2,1-3H3
InChIKeyXMUVLMFKFADXAB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.05
Rot. Bonds3

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

1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine (PubChem CID 81458322) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
PubChem CID81458322
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(C)cc2C)CCC1N
InChIInChI=1S/C15H24N2O2S/c1-4-13-10-17(8-7-14(13)16)20(18,19)15-6-5-11(2)9-12(15)3/h5-6,9,13-14H,4,7-8,10,16H2,1-3H3
InChIKeyXMUVLMFKFADXAB-UHFFFAOYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106998996
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458578
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
N-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990508
(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-ethylpiperidin-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine (CID 81458322) is 1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine is CCC1CN(S(=O)(=O)c2ccc(C)cc2C)CCC1N.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine?
The InChIKey is XMUVLMFKFADXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-13-10-17(8-7-14(13)16)20(18,19)15-6-5-11(2)9-12(15)3/h5-6,9,13-14H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine?
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 2.05, 3 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-ethylpiperidin-4-amine is sourced from PubChem (CID 81458322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).