4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid

C10H18N2O5S — CID 82182894

IUPAC4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)CC(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O5S/c13-9(12-5-3-11-4-6-12)8-18(16,17)7-1-2-10(14)15/h11H,1-8H2,(H,14,15)
InChIKeyWMJNQWOGJVUVDL-UHFFFAOYSA-N
MW278.33 g/mol
LogP-1.30
Rot. Bonds6

About 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid

4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid (PubChem CID 82182894) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid
PubChem CID82182894
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)CC(=O)N1CCNCC1
InChIInChI=1S/C10H18N2O5S/c13-9(12-5-3-11-4-6-12)8-18(16,17)7-1-2-10(14)15/h11H,1-8H2,(H,14,15)
InChIKeyWMJNQWOGJVUVDL-UHFFFAOYSA-N
XLogP-1.30
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82182500
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2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetamide
CID 82182498
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
1-(1,4-diazepan-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 119416707
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
CID 61003211
1-(azepan-1-yl)-2-(3-hydroxypropylsulfonyl)ethanone
CID 82181869
2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone
CID 82181863
3-piperazin-1-ylsulfonylpropanoic acid
CID 61405457
butanedioic acid;bis(piperazine-1-carboxamide)
CID 174927444
N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 119403914

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid?
The IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid (CID 82182894) is 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid?
The canonical SMILES for 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)CC(=O)N1CCNCC1.
What is the InChIKey of 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid?
The InChIKey is WMJNQWOGJVUVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c13-9(12-5-3-11-4-6-12)8-18(16,17)7-1-2-10(14)15/h11H,1-8H2,(H,14,15).
What are the key properties of 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid?
4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid has a molecular weight of 278.33 g/mol, XLogP of -1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid is sourced from PubChem (CID 82182894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).