2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid

C10H19NO4S — CID 62330667

IUPAC2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC1CCN(S(=O)(=O)C(C)C(=O)O)C(C)C1
InChIInChI=1S/C10H19NO4S/c1-7-4-5-11(8(2)6-7)16(14,15)9(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyUXTQMAHRYMXQFK-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds3

About 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid

2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 62330667) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid
PubChem CID62330667
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC1CCN(S(=O)(=O)C(C)C(=O)O)C(C)C1
InChIInChI=1S/C10H19NO4S/c1-7-4-5-11(8(2)6-7)16(14,15)9(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyUXTQMAHRYMXQFK-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 61458091
2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid
CID 106742411
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylpropanoic acid
CID 102778344
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)propanoic acid
CID 82747844
2-(7-azabicyclo[2.2.1]heptan-7-ylsulfonyl)propanoic acid
CID 131219470
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 107215353
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpropanoic acid
CID 112622457
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propanoic acid
CID 54947759
2-(2-ethylazepan-1-yl)sulfonylpropanoic acid
CID 104689170
2,4-dimethyl-1-piperidin-4-ylsulfonylpiperidine
CID 62332373

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid (CID 62330667) is 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid is CC1CCN(S(=O)(=O)C(C)C(=O)O)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is UXTQMAHRYMXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7-4-5-11(8(2)6-7)16(14,15)9(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid?
2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 62330667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).