4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid

C11H20N2O4S — CID 55226317

IUPAC4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N2CCCCC2)CC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-9-7-13(8-10(9)11(14)15)18(16,17)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyVIXKWCRKXNPQLW-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.37
Rot. Bonds3

About 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid

4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid (PubChem CID 55226317) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
PubChem CID55226317
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N2CCCCC2)CC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-9-7-13(8-10(9)11(14)15)18(16,17)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyVIXKWCRKXNPQLW-UHFFFAOYSA-N
XLogP0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid (CID 55226317) is 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid is CC1CN(S(=O)(=O)N2CCCCC2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is VIXKWCRKXNPQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9-7-13(8-10(9)11(14)15)18(16,17)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).