2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid

C11H21NO4S — CID 54899494

IUPAC2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid
SMILESCCS(=O)(=O)CCN1CCCCC1CC(=O)O
InChIInChI=1S/C11H21NO4S/c1-2-17(15,16)8-7-12-6-4-3-5-10(12)9-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyODMFJCVNIASSNF-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.75
Rot. Bonds6

About 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid

2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid (PubChem CID 54899494) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid
PubChem CID54899494
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid
SMILESCCS(=O)(=O)CCN1CCCCC1CC(=O)O
InChIInChI=1S/C11H21NO4S/c1-2-17(15,16)8-7-12-6-4-3-5-10(12)9-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyODMFJCVNIASSNF-UHFFFAOYSA-N
XLogP0.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid (CID 54899494) is 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid is CCS(=O)(=O)CCN1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid?
The InChIKey is ODMFJCVNIASSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-17(15,16)8-7-12-6-4-3-5-10(12)9-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid?
2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid has a molecular weight of 263.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).