N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide

C17H27N3O3S — CID 134025751

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O3S/c1-18(24(21,22)20-9-3-2-4-10-20)15-16-5-7-17(8-6-16)19-11-13-23-14-12-19/h5-8H,2-4,9-15H2,1H3
InChIKeyULFJYRTVTPTFIJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.69
Rot. Bonds5

About N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide (PubChem CID 134025751) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
PubChem CID134025751
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O3S/c1-18(24(21,22)20-9-3-2-4-10-20)15-16-5-7-17(8-6-16)19-11-13-23-14-12-19/h5-8H,2-4,9-15H2,1H3
InChIKeyULFJYRTVTPTFIJ-UHFFFAOYSA-N
XLogP1.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]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-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 24622173
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 54979213
2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate
CID 22934161
4-(4-ethylphenyl)morpholine
CID 20576442
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide
CID 60922991
(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 154839058
N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
CID 62967428
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide
CID 134017765
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide (CID 134025751) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide is CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
The InChIKey is ULFJYRTVTPTFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-18(24(21,22)20-9-3-2-4-10-20)15-16-5-7-17(8-6-16)19-11-13-23-14-12-19/h5-8H,2-4,9-15H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 134025751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).