N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide

C14H20N2O2S — CID 143792358

IUPACN-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide
SMILESCN(CC1(c2ccccc2)CC=NCC1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O2S/c1-16(19(2,17)18)12-14(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyOWQJBJAILZDTEM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.68
Rot. Bonds4

About N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide

N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide (PubChem CID 143792358) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide
PubChem CID143792358
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide
SMILESCN(CC1(c2ccccc2)CC=NCC1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O2S/c1-16(19(2,17)18)12-14(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyOWQJBJAILZDTEM-UHFFFAOYSA-N
XLogP1.68
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide (CID 143792358) is N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide is CN(CC1(c2ccccc2)CC=NCC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide?
The InChIKey is OWQJBJAILZDTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(19(2,17)18)12-14(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide?
N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 143792358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).