N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide

C16H26N2O3S — CID 50952486

IUPACN-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCCc1ccccc1OCCN1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O3S/c1-3-14-6-4-5-7-16(14)21-13-12-18-10-8-15(9-11-18)17-22(2,19)20/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyVFADMDYFBKXOEL-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.64
Rot. Bonds7

About N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide

N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 50952486) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide
PubChem CID50952486
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCCc1ccccc1OCCN1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O3S/c1-3-14-6-4-5-7-16(14)21-13-12-18-10-8-15(9-11-18)17-22(2,19)20/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyVFADMDYFBKXOEL-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide (CID 50952486) is N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide is CCc1ccccc1OCCN1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is VFADMDYFBKXOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-14-6-4-5-7-16(14)21-13-12-18-10-8-15(9-11-18)17-22(2,19)20/h4-7,15,17H,3,8-13H2,1-2H3.
What are the key properties of N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethylphenoxy)ethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 50952486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).