4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid

C11H20N2O5S — CID 55177567

IUPAC4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCS(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O5S/c1-11(9(14)15)3-6-13(7-4-11)10(16)12-5-8-19(2,17)18/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyZARMKOMHKPWSIQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.07
Rot. Bonds4

About 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid

4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 55177567) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID55177567
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCS(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O5S/c1-11(9(14)15)3-6-13(7-4-11)10(16)12-5-8-19(2,17)18/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyZARMKOMHKPWSIQ-UHFFFAOYSA-N
XLogP-0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-1-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106431715
4-Ethyl-1-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106431716
1-[(2-Methanesulfonylpropyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 137934192
1-[(1,1-Dioxothiolan-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43135731
1-[2-(Methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 43546313
1-(2-Sulfamoylethylcarbamoyl)piperidine-4-carboxylic acid
CID 43552618
1-[(1,1-Dioxothian-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43615525
1-(2-Methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid
CID 54935275
4-[Methyl(2-methylsulfonylethylcarbamoyl)amino]butanoic acid
CID 54935276
3-Methyl-1-(2-methylsulfonylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55164225
3-Methyl-1-(3-methylsulfonylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166542
4-Methyl-1-(2-sulfamoylethylcarbamoyl)piperidine-4-carboxylic acid
CID 55176797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid (CID 55177567) is 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCS(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is ZARMKOMHKPWSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(9(14)15)3-6-13(7-4-11)10(16)12-5-8-19(2,17)18/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid?
4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55177567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).