1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

C13H24N2O4S — CID 3415420

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O4S/c1-10-6-11(2)8-15(7-10)20(18,19)14-5-3-4-12(9-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyBIJPYEGILDRZEE-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.01
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 3415420) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID3415420
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O4S/c1-10-6-11(2)8-15(7-10)20(18,19)14-5-3-4-12(9-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyBIJPYEGILDRZEE-UHFFFAOYSA-N
XLogP1.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (CID 3415420) is 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is BIJPYEGILDRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-10-6-11(2)8-15(7-10)20(18,19)14-5-3-4-12(9-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 3415420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).