2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid

C10H19NO4S — CID 59634233

IUPAC2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC1CCCCN1S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4S/c1-8-6-4-5-7-11(8)16(14,15)10(2,3)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyYIFDIPKQKAZUDZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid

2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 59634233) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid
PubChem CID59634233
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC1CCCCN1S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4S/c1-8-6-4-5-7-11(8)16(14,15)10(2,3)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyYIFDIPKQKAZUDZ-UHFFFAOYSA-N
XLogP1.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid (CID 59634233) is 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid is CC1CCCCN1S(=O)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is YIFDIPKQKAZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8-6-4-5-7-11(8)16(14,15)10(2,3)9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid?
2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 249.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 59634233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).