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

C8H16N2O4S — CID 114807134

IUPAC4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-3-4-10(15(13,14)9-2)7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyZXELCRDMHXSZDZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.36
Rot. Bonds3

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

4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 114807134) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID114807134
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-3-4-10(15(13,14)9-2)7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyZXELCRDMHXSZDZ-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

4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807133
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
CID 114422080
1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidine-2-carboxylic acid
CID 114422164
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
1-(2-cyanophenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422134
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
3-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
CID 107070134
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422133
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114422160
1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422076

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid (CID 114807134) is 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid is CNS(=O)(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is ZXELCRDMHXSZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6-3-4-10(15(13,14)9-2)7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid?
4-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 4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114807134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).