N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C17H26N2O3S — CID 113141792

IUPACN-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cccc(N(CCC(=O)N2CCCC(C)C2)S(C)(=O)=O)c1
InChIInChI=1S/C17H26N2O3S/c1-14-6-4-8-16(12-14)19(23(3,21)22)11-9-17(20)18-10-5-7-15(2)13-18/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3
InChIKeyOSQCNWSCQSCGDJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.41
Rot. Bonds5

About N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113141792) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113141792
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cccc(N(CCC(=O)N2CCCC(C)C2)S(C)(=O)=O)c1
InChIInChI=1S/C17H26N2O3S/c1-14-6-4-8-16(12-14)19(23(3,21)22)11-9-17(20)18-10-5-7-15(2)13-18/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3
InChIKeyOSQCNWSCQSCGDJ-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide 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-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969
N-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141653
N-(4-ethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144892
N-(3-methylphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 50946741
N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142346
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953
N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 70711144
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 47065520
N-(2,6-difluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157617
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113141792) is N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is Cc1cccc(N(CCC(=O)N2CCCC(C)C2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is OSQCNWSCQSCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-6-4-8-16(12-14)19(23(3,21)22)11-9-17(20)18-10-5-7-15(2)13-18/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3.
What are the key properties of N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113141792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).