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

C17H26N2O3S — CID 112995483

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-12-23(21,22)18-14-17(20)19-10-8-16(9-11-19)13-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyZEMGXQKUCPLXNK-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.80
Rot. Bonds7

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

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide (PubChem CID 112995483) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
PubChem CID112995483
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-12-23(21,22)18-14-17(20)19-10-8-16(9-11-19)13-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyZEMGXQKUCPLXNK-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111749873
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
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide (CID 112995483) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
The InChIKey is ZEMGXQKUCPLXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-12-23(21,22)18-14-17(20)19-10-8-16(9-11-19)13-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.80, 7 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]propane-1-sulfonamide is sourced from PubChem (CID 112995483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).