3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid

C11H20N2O5S — CID 63135714

IUPAC3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCCS(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O5S/c1-11(9(14)15)4-3-6-13(8-11)10(16)12-5-7-19(2,17)18/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGRLZDEQVIOILQI-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.07
Rot. Bonds4

About 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid

3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63135714) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63135714
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCCS(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O5S/c1-11(9(14)15)4-3-6-13(8-11)10(16)12-5-7-19(2,17)18/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGRLZDEQVIOILQI-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

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Related Compounds

1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137282
3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 106040369
1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 65245197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid (CID 63135714) is 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)NCCS(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is GRLZDEQVIOILQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(9(14)15)4-3-6-13(8-11)10(16)12-5-7-19(2,17)18/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-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 3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63135714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).