N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide

C17H26N2O3S — CID 84600963

IUPACN,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-18(2)23(21,22)14-17(20)19-13-7-6-10-16(19)12-11-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKeyLTGIMZRBJHRVJO-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.89
Rot. Bonds6

About N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide

N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide (PubChem CID 84600963) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
PubChem CID84600963
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-18(2)23(21,22)14-17(20)19-13-7-6-10-16(19)12-11-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKeyLTGIMZRBJHRVJO-UHFFFAOYSA-N
XLogP1.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97247319
4-amino-3-methoxy-1-[2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 120588727
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide (CID 84600963) is N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide is CN(C)S(=O)(=O)CC(=O)N1CCCCC1CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide?
The InChIKey is LTGIMZRBJHRVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18(2)23(21,22)14-17(20)19-13-7-6-10-16(19)12-11-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide?
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 84600963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).