2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid

C10H19NO5S — CID 59634291

IUPAC2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid
SMILESCOC1CCN(S(=O)(=O)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H19NO5S/c1-10(2,9(12)13)17(14,15)11-6-4-8(16-3)5-7-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyOAZJICBFEPXFGP-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds4

About 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid

2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid (PubChem CID 59634291) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid
PubChem CID59634291
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid
SMILESCOC1CCN(S(=O)(=O)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H19NO5S/c1-10(2,9(12)13)17(14,15)11-6-4-8(16-3)5-7-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyOAZJICBFEPXFGP-UHFFFAOYSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid (CID 59634291) is 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid is COC1CCN(S(=O)(=O)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
The InChIKey is OAZJICBFEPXFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,9(12)13)17(14,15)11-6-4-8(16-3)5-7-11/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid is sourced from PubChem (CID 59634291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).