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

C15H22N2O3S — CID 104596237

IUPACN-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2(C)CCCCN2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)17-14(18)15(2)10-4-5-11-16-15/h6-9,16H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyQNFCHLNQNYDASS-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds4

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

N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596237) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide
PubChem CID104596237
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2(C)CCCCN2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)17-14(18)15(2)10-4-5-11-16-15/h6-9,16H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyQNFCHLNQNYDASS-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368545
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide
CID 104596304
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 114839641
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
CID 104597136
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
CID 81171823
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine
CID 114696954

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide (CID 104596237) is N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)C2(C)CCCCN2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is QNFCHLNQNYDASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)17-14(18)15(2)10-4-5-11-16-15/h6-9,16H,3-5,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide?
N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).