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

C16H26N2O3S — CID 16887668

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-21-12-11-18-9-7-15(8-10-18)13-17-22(19,20)14-16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3
InChIKeyCCHRSUTZCRVWMM-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.46
Rot. Bonds8

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

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 16887668) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID16887668
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-21-12-11-18-9-7-15(8-10-18)13-17-22(19,20)14-16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3
InChIKeyCCHRSUTZCRVWMM-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.46
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]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide (CID 16887668) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide is COCCN1CCC(CNS(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is CCHRSUTZCRVWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-21-12-11-18-9-7-15(8-10-18)13-17-22(19,20)14-16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.46, 8 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 16887668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).