1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid

C11H20N2O4S — CID 6623317

IUPAC1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C11H20N2O4S/c14-11(15)10-5-4-8-13(9-10)18(16,17)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)
InChIKeyXDQCJJZPDFINPW-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.51
Rot. Bonds3

About 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid

1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 6623317) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID6623317
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C11H20N2O4S/c14-11(15)10-5-4-8-13(9-10)18(16,17)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)
InChIKeyXDQCJJZPDFINPW-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid (CID 6623317) is 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is XDQCJJZPDFINPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-11(15)10-5-4-8-13(9-10)18(16,17)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15).
What are the key properties of 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid?
1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 6623317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).