N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C14H20N2O3S — CID 754867

IUPACN-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-11-3-5-13(6-4-11)20(18,19)16-9-7-12(8-10-16)14(17)15-2/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyQOWIZPFWNXWICH-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.14
Rot. Bonds3

About N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 754867) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID754867
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-11-3-5-13(6-4-11)20(18,19)16-9-7-12(8-10-16)14(17)15-2/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyQOWIZPFWNXWICH-UHFFFAOYSA-N
XLogP1.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 110350788
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 43577792
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 754867) is N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QOWIZPFWNXWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-3-5-13(6-4-11)20(18,19)16-9-7-12(8-10-16)14(17)15-2/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 754867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).