1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid

C11H20N2O4S — CID 55148941

IUPAC1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-9-3-2-5-12(7-9)18(16,17)13-6-4-10(8-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeySUABWNIAZXVRRD-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.37
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid

1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 55148941) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID55148941
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-9-3-2-5-12(7-9)18(16,17)13-6-4-10(8-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeySUABWNIAZXVRRD-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 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 55148941) is 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid is CC1CCCN(S(=O)(=O)N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is SUABWNIAZXVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9-3-2-5-12(7-9)18(16,17)13-6-4-10(8-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-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 1-(3-methylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55148941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).