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

C10H19NO4S — CID 143803375

IUPAC2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid
SMILESCOC1CCN(S(=O)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H19NO4S/c1-10(2,9(12)13)16(14)11-6-4-8(15-3)5-7-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyGSRMUIGQWHBENK-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.62
Rot. Bonds4

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

2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid (PubChem CID 143803375) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid
PubChem CID143803375
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid
SMILESCOC1CCN(S(=O)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H19NO4S/c1-10(2,9(12)13)16(14)11-6-4-8(15-3)5-7-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyGSRMUIGQWHBENK-UHFFFAOYSA-N
XLogP0.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid (CID 143803375) is 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid is COC1CCN(S(=O)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid?
The InChIKey is GSRMUIGQWHBENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-10(2,9(12)13)16(14)11-6-4-8(15-3)5-7-11/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid?
2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid is sourced from PubChem (CID 143803375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).