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

C14H20N2O3S — CID 141218443

IUPAC2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-3-5-13(6-4-10)20(18,19)16-8-7-12(14(15)17)9-11(16)2/h3-6,11-12H,7-9H2,1-2H3,(H2,15,17)
InChIKeySOHCWXKWKGEELK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.27
Rot. Bonds3

About 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 141218443) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID141218443
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-3-5-13(6-4-10)20(18,19)16-8-7-12(14(15)17)9-11(16)2/h3-6,11-12H,7-9H2,1-2H3,(H2,15,17)
InChIKeySOHCWXKWKGEELK-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,4R)-2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 138958146
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
CID 11777132
2-methyl-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylic acid
CID 106742467
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742383
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 107649963
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258
methyl (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
CID 102306773
1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
CID 23735152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 141218443) is 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SOHCWXKWKGEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-3-5-13(6-4-10)20(18,19)16-8-7-12(14(15)17)9-11(16)2/h3-6,11-12H,7-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 141218443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).