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

C17H28N2O3S — CID 78899671

IUPACN-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(CCN2CCCCC2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O3S/c1-22-17-8-6-15(7-9-17)11-14-19-13-4-3-5-16(19)10-12-18-23(2,20)21/h6-9,16,18H,3-5,10-14H2,1-2H3
InChIKeyFFFHHNBJSZECPT-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.03
Rot. Bonds8

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

N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 78899671) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID78899671
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(CCN2CCCCC2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O3S/c1-22-17-8-6-15(7-9-17)11-14-19-13-4-3-5-16(19)10-12-18-23(2,20)21/h6-9,16,18H,3-5,10-14H2,1-2H3
InChIKeyFFFHHNBJSZECPT-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 65446383
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924
N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]methanesulfonamide
CID 52504509
N-[2-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 112840806
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 56789870
N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634221
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
CID 54603548
N-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 47280772
N-[[(2R)-1-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 97433339
N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 154751347
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 78899671) is N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide is COc1ccc(CCN2CCCCC2CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is FFFHHNBJSZECPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-22-17-8-6-15(7-9-17)11-14-19-13-4-3-5-16(19)10-12-18-23(2,20)21/h6-9,16,18H,3-5,10-14H2,1-2H3.
What are the key properties of N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 78899671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).