N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C17H27N3O3S — CID 113156111

IUPACN-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(c2ccc(N(C)C)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O3S/c1-14-9-11-19(12-10-14)17(21)13-20(24(4,22)23)16-7-5-15(6-8-16)18(2)3/h5-8,14H,9-13H2,1-4H3
InChIKeyVQMAHCDKQSDERI-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.78
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113156111) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113156111
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(c2ccc(N(C)C)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O3S/c1-14-9-11-19(12-10-14)17(21)13-20(24(4,22)23)16-7-5-15(6-8-16)18(2)3/h5-8,14H,9-13H2,1-4H3
InChIKeyVQMAHCDKQSDERI-UHFFFAOYSA-N
XLogP1.78
TPSA60.93 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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154627
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 31256314
N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154551
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113156284
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
N,N-dimethyl-4-[methylsulfonyl-(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 30256695
N-[4-(diethylamino)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156219
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 113156111) is N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CC1CCN(C(=O)CN(c2ccc(N(C)C)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is VQMAHCDKQSDERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-9-11-19(12-10-14)17(21)13-20(24(4,22)23)16-7-5-15(6-8-16)18(2)3/h5-8,14H,9-13H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113156111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).