4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide

C15H21N3O4S — CID 110350771

IUPAC4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-11-3-5-13(6-4-11)23(21,22)17-15(20)18-9-7-12(8-10-18)14(19)16-2/h3-6,12H,7-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyOAGKLXZYGJGEMU-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.85
Rot. Bonds3

About 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide

4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide (PubChem CID 110350771) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
PubChem CID110350771
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-11-3-5-13(6-4-11)23(21,22)17-15(20)18-9-7-12(8-10-18)14(19)16-2/h3-6,12H,7-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyOAGKLXZYGJGEMU-UHFFFAOYSA-N
XLogP0.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
CID 175378510
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
3-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 110423947
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110396656

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide (CID 110350771) is 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide is CNC(=O)C1CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide?
The InChIKey is OAGKLXZYGJGEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-3-5-13(6-4-11)23(21,22)17-15(20)18-9-7-12(8-10-18)14(19)16-2/h3-6,12H,7-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide?
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 110350771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).