N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide

C17H28N2O3S — CID 16887640

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O3S/c1-22-13-12-19-10-7-17(8-11-19)15-18-23(20,21)14-9-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyGDXVHIMVDTUHCN-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.51
Rot. Bonds9

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide (PubChem CID 16887640) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
PubChem CID16887640
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O3S/c1-22-13-12-19-10-7-17(8-11-19)15-18-23(20,21)14-9-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyGDXVHIMVDTUHCN-UHFFFAOYSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide (CID 16887640) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide is COCCN1CCC(CNS(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The InChIKey is GDXVHIMVDTUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-22-13-12-19-10-7-17(8-11-19)15-18-23(20,21)14-9-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 16887640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).