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

C8H16N2O4S — CID 107070134

IUPAC3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
SMILESCNS(=O)(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-4-3-5-10(7(6)8(11)12)15(13,14)9-2/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyIUOJGUAWPDIZOO-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.36
Rot. Bonds3

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

3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 107070134) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID107070134
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
SMILESCNS(=O)(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-4-3-5-10(7(6)8(11)12)15(13,14)9-2/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyIUOJGUAWPDIZOO-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-2-carboxylic acid
CID 107070042
3-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 102776359
2-fluoro-N-methylpyrrolidine-1-sulfonamide
CID 150404316
1-(2-fluorophenyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070159
1-(3-ethoxy-3-oxopropyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070056
1-(ethoxycarbonylsulfamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776352
4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
CID 114807134
1-(azepan-1-ylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937258
3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid
CID 107071491
1-(5-fluoro-2-methylphenyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070018
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid (CID 107070134) is 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid is CNS(=O)(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is IUOJGUAWPDIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6-4-3-5-10(7(6)8(11)12)15(13,14)9-2/h6-7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107070134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).