N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide

C16H24N2O3S — CID 112995482

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)17-13-16(19)18-10-8-15(9-11-18)12-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3
InChIKeyLCRWCHOOKJLLOC-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.41
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide (PubChem CID 112995482) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
PubChem CID112995482
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)17-13-16(19)18-10-8-15(9-11-18)12-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3
InChIKeyLCRWCHOOKJLLOC-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
4-benzyl-N-ethyl-N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111152474
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide (CID 112995482) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide is CCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide?
The InChIKey is LCRWCHOOKJLLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-22(20,21)17-13-16(19)18-10-8-15(9-11-18)12-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide is sourced from PubChem (CID 112995482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).