(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine

C15H24N2O2S — CID 124557704

IUPAC(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-11-6-7-15(12(2)9-11)20(18,19)17-8-4-5-14(10-17)13(3)16/h6-7,9,13-14H,4-5,8,10,16H2,1-3H3/t13-,14-/m1/s1
InChIKeyOONWHYDHNXPSAS-ZIAGYGMSSA-N
MW296.44 g/mol
LogP2.05
Rot. Bonds3

About (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine

(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 124557704) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID124557704
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-11-6-7-15(12(2)9-11)20(18,19)17-8-4-5-14(10-17)13(3)16/h6-7,9,13-14H,4-5,8,10,16H2,1-3H3/t13-,14-/m1/s1
InChIKeyOONWHYDHNXPSAS-ZIAGYGMSSA-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

(1S)-1-[(3S)-1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678238
1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710828
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
(1S)-1-[(3S)-1-(5-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678246
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
1-[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984585
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
3-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonyl-4-methylbenzonitrile
CID 124678146
1-[1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984212

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine (CID 124557704) is (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine is Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c(C)c1.
What is the InChIKey of (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is OONWHYDHNXPSAS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-6-7-15(12(2)9-11)20(18,19)17-8-4-5-14(10-17)13(3)16/h6-7,9,13-14H,4-5,8,10,16H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine?
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine 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 (1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 124557704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).