1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine

C15H24N2O2S — CID 62591940

IUPAC1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ccc(N2CCC(CNC)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-20(18,19)15-6-4-14(5-7-15)17-10-8-13(9-11-17)12-16-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyZMEZAIHNNSZIEY-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.92
Rot. Bonds5

About 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 62591940) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID62591940
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ccc(N2CCC(CNC)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-20(18,19)15-6-4-14(5-7-15)17-10-8-13(9-11-17)12-16-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyZMEZAIHNNSZIEY-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63249525
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
CID 51099314
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
1-(4-ethylsulfonylphenyl)-4-(1-methylpyrazol-4-yl)piperidine
CID 91651135
[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
CID 61147641
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine (CID 62591940) is 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine is CCS(=O)(=O)c1ccc(N2CCC(CNC)CC2)cc1.
What is the InChIKey of 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is ZMEZAIHNNSZIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-20(18,19)15-6-4-14(5-7-15)17-10-8-13(9-11-17)12-16-2/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62591940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).