2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid

C9H16N2O5S — CID 82182500

IUPAC2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C9H16N2O5S/c12-8(11-4-2-10-3-5-11)1-6-17(15,16)7-9(13)14/h10H,1-7H2,(H,13,14)
InChIKeyCCDXZDXSQBQIGQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.69
Rot. Bonds5

About 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid

2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid (PubChem CID 82182500) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid
PubChem CID82182500
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C9H16N2O5S/c12-8(11-4-2-10-3-5-11)1-6-17(15,16)7-9(13)14/h10H,1-7H2,(H,13,14)
InChIKeyCCDXZDXSQBQIGQ-UHFFFAOYSA-N
XLogP-1.69
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide
CID 67657886
3-Methylsulfonyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 69460993
2-Propylsulfonylpiperazine-1-carboxylic acid
CID 89483468
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 90276982
Carboxymethyl-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methanidylazanium
CID 123842414
[1-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxobutan-2-yl]carbamic acid
CID 134519455
2-[2-[2-(1,1-Dioxothiazinan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139512219
2-[2-Oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetic acid
CID 139516977
[1-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]carbamic acid
CID 140243936
2-(3-Oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide
CID 140390164
2-[2-Oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid
CID 153346602
2-(2-Aminoethylsulfonyl)-1-piperazin-1-ylpropan-1-one
CID 166948922

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid?
The IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid (CID 82182500) is 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid.
What is the SMILES notation for 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid?
The canonical SMILES for 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid is O=C(O)CS(=O)(=O)CCC(=O)N1CCNCC1.
What is the InChIKey of 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid?
The InChIKey is CCDXZDXSQBQIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c12-8(11-4-2-10-3-5-11)1-6-17(15,16)7-9(13)14/h10H,1-7H2,(H,13,14).
What are the key properties of 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid?
2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid has a molecular weight of 264.30 g/mol, XLogP of -1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid is sourced from PubChem (CID 82182500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).