N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide

C16H27N3O3S — CID 138047830

IUPACN-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide
SMILESCOc1ccc(CN(C)CCNS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H27N3O3S/c1-18(14-15-6-8-16(22-2)9-7-15)13-10-17-23(20,21)19-11-4-3-5-12-19/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyLGLZGLNEEHMMSQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.45
Rot. Bonds8

About N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide

N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide (PubChem CID 138047830) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide
PubChem CID138047830
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide
SMILESCOc1ccc(CN(C)CCNS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H27N3O3S/c1-18(14-15-6-8-16(22-2)9-7-15)13-10-17-23(20,21)19-11-4-3-5-12-19/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyLGLZGLNEEHMMSQ-UHFFFAOYSA-N
XLogP1.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
CID 51335175
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62553778
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide
CID 38114249
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide (CID 138047830) is N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide is COc1ccc(CN(C)CCNS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide?
The InChIKey is LGLZGLNEEHMMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-18(14-15-6-8-16(22-2)9-7-15)13-10-17-23(20,21)19-11-4-3-5-12-19/h6-9,17H,3-5,10-14H2,1-2H3.
What are the key properties of N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide?
N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 138047830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).