1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine

C15H24N2O2S — CID 63597096

IUPAC1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-4-5-12(2)15(10-11)20(18,19)17-8-6-14(7-9-17)13(3)16/h4-5,10,13-14H,6-9,16H2,1-3H3
InChIKeyNUIDHDLIOQIKOD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine

1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine (PubChem CID 63597096) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
PubChem CID63597096
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-4-5-12(2)15(10-11)20(18,19)17-8-6-14(7-9-17)13(3)16/h4-5,10,13-14H,6-9,16H2,1-3H3
InChIKeyNUIDHDLIOQIKOD-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

1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-[1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976011
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871203
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709083
1-[1-(2-methyl-4-nitrophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119975033
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 120709113
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941143
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine (CID 63597096) is 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine is Cc1ccc(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is NUIDHDLIOQIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-4-5-12(2)15(10-11)20(18,19)17-8-6-14(7-9-17)13(3)16/h4-5,10,13-14H,6-9,16H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine?
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-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 1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 63597096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).