2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide

C16H26N2O3S — CID 110356277

IUPAC2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H26N2O3S/c1-21-12-13-22(19,20)17-14-16(15-8-4-2-5-9-15)18-10-6-3-7-11-18/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3
InChIKeyVBGBDZKXQIKKFB-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.78
Rot. Bonds8

About 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide

2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide (PubChem CID 110356277) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
PubChem CID110356277
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H26N2O3S/c1-21-12-13-22(19,20)17-14-16(15-8-4-2-5-9-15)18-10-6-3-7-11-18/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3
InChIKeyVBGBDZKXQIKKFB-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 107651678
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506670
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
CID 75765827
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
CID 47068811
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide (CID 110356277) is 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide is COCCS(=O)(=O)NCC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide?
The InChIKey is VBGBDZKXQIKKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-21-12-13-22(19,20)17-14-16(15-8-4-2-5-9-15)18-10-6-3-7-11-18/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3.
What are the key properties of 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide?
2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide is sourced from PubChem (CID 110356277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).