N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide

C15H22N2O3S — CID 107067354

IUPACN-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2NCCCC2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)17-15(18)14-11(2)5-4-10-16-14/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeySVVQYBSXWBRDGR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.81
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide

N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107067354) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107067354
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2NCCCC2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)17-15(18)14-11(2)5-4-10-16-14/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeySVVQYBSXWBRDGR-UHFFFAOYSA-N
XLogP1.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 107067148
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
CID 107067581
3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 107067553
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide (CID 107067354) is N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)C2NCCCC2C)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is SVVQYBSXWBRDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)17-15(18)14-11(2)5-4-10-16-14/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide?
N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).