N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine

C15H24N2O2S — CID 63853535

IUPACN-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(16-2)13-8-10-17(11-9-13)14-6-4-5-7-15(14)20(3,18)19/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyUAEKYJWIYZVRNM-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine

N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine (PubChem CID 63853535) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine
PubChem CID63853535
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(16-2)13-8-10-17(11-9-13)14-6-4-5-7-15(14)20(3,18)19/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyUAEKYJWIYZVRNM-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
CID 133363037
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
CID 106837320
4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
CID 80702471
1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine
CID 168755966
2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
CID 84596072
1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine
CID 97242174

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine (CID 63853535) is N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine is CNC(C)C1CCN(c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine?
The InChIKey is UAEKYJWIYZVRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(16-2)13-8-10-17(11-9-13)14-6-4-5-7-15(14)20(3,18)19/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine?
N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63853535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).