2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid

C10H17NO5S — CID 43116992

IUPAC2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid
SMILESCC(C(=O)N1CCCCC1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H17NO5S/c1-8(17(15,16)7-9(12)13)10(14)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyQKMXSMALMWKSND-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.11
Rot. Bonds4

About 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid

2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid (PubChem CID 43116992) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid
PubChem CID43116992
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid
SMILESCC(C(=O)N1CCCCC1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H17NO5S/c1-8(17(15,16)7-9(12)13)10(14)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyQKMXSMALMWKSND-UHFFFAOYSA-N
XLogP-0.11
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid?
The IUPAC name of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid (CID 43116992) is 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid?
The canonical SMILES for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid is CC(C(=O)N1CCCCC1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid?
The InChIKey is QKMXSMALMWKSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-8(17(15,16)7-9(12)13)10(14)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid?
2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid has a molecular weight of 263.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfonylacetic acid is sourced from PubChem (CID 43116992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).