2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid

C11H21NO4S — CID 63158230

IUPAC2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid
SMILESCCC1(CC)CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-3-11(4-2)5-7-12(8-6-11)17(15,16)9-10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeyHBLZYHHKKLSWJX-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds5

About 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid

2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid (PubChem CID 63158230) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid
PubChem CID63158230
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid
SMILESCCC1(CC)CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-3-11(4-2)5-7-12(8-6-11)17(15,16)9-10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeyHBLZYHHKKLSWJX-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid (CID 63158230) is 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid is CCC1(CC)CCN(S(=O)(=O)CC(=O)O)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid?
The InChIKey is HBLZYHHKKLSWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-11(4-2)5-7-12(8-6-11)17(15,16)9-10(13)14/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid?
2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 63158230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).