N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide

C16H26N2O4S — CID 30667701

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H26N2O4S/c1-4-17(23(19,20)18-10-6-5-7-11-18)13-14-8-9-15(21-2)16(12-14)22-3/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeyVKNIBGORROETHE-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.26
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide (PubChem CID 30667701) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
PubChem CID30667701
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H26N2O4S/c1-4-17(23(19,20)18-10-6-5-7-11-18)13-14-8-9-15(21-2)16(12-14)22-3/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeyVKNIBGORROETHE-UHFFFAOYSA-N
XLogP2.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide
CID 134017765
N-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1176690
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
1-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 20967816
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 8801326
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801338
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 47027251
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46636602
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide (CID 30667701) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide is CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide?
The InChIKey is VKNIBGORROETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-17(23(19,20)18-10-6-5-7-11-18)13-14-8-9-15(21-2)16(12-14)22-3/h8-9,12H,4-7,10-11,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide is sourced from PubChem (CID 30667701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).