N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide

C17H26N2O3S — CID 56878402

IUPACN-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccccc1CCC1CCCN(C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O3S/c1-14-6-3-4-8-16(14)10-9-15-7-5-11-19(13-15)17(20)12-18-23(2,21)22/h3-4,6,8,15,18H,5,7,9-13H2,1-2H3
InChIKeyPGRJPTGMINUYKX-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.72
Rot. Bonds6

About N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 56878402) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID56878402
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccccc1CCC1CCCN(C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O3S/c1-14-6-3-4-8-16(14)10-9-15-7-5-11-19(13-15)17(20)12-18-23(2,21)22/h3-4,6,8,15,18H,5,7,9-13H2,1-2H3
InChIKeyPGRJPTGMINUYKX-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]methanesulfonamide
CID 56880960
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
N-[2-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95558206
6-methyl-5-[2-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95545178
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
1-[3-(2-bromoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 80668955
3-(2-methylimidazol-1-yl)-1-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 45208694
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 45253107
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 56878402) is N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1ccccc1CCC1CCCN(C(=O)CNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is PGRJPTGMINUYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-6-3-4-8-16(14)10-9-15-7-5-11-19(13-15)17(20)12-18-23(2,21)22/h3-4,6,8,15,18H,5,7,9-13H2,1-2H3.
What are the key properties of N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 56878402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).