[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide

C15H24N2O3S — CID 171910981

IUPAC[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1ccc(CCN2CCC(CS(N)(=O)=O)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-15-4-2-13(3-5-15)6-9-17-10-7-14(8-11-17)12-21(16,18)19/h2-5,14H,6-12H2,1H3,(H2,16,18,19)
InChIKeyJIECJTZCJNKWMU-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.24
Rot. Bonds6

About [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide

[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 171910981) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
PubChem CID171910981
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1ccc(CCN2CCC(CS(N)(=O)=O)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-15-4-2-13(3-5-15)6-9-17-10-7-14(8-11-17)12-21(16,18)19/h2-5,14H,6-12H2,1H3,(H2,16,18,19)
InChIKeyJIECJTZCJNKWMU-UHFFFAOYSA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide (CID 171910981) is [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide is COc1ccc(CCN2CCC(CS(N)(=O)=O)CC2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is JIECJTZCJNKWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-15-4-2-13(3-5-15)6-9-17-10-7-14(8-11-17)12-21(16,18)19/h2-5,14H,6-12H2,1H3,(H2,16,18,19).
What are the key properties of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 171910981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).