4-[4-(Methylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Basic information
- CAS
899019-04-6- Standard SMILES
CS(=O)(=O)N1CCN(C(=O)CCC(=O)O)CC1- InChIKey
LBAFRNDKPKEPRE-UHFFFAOYSA-N- Molecular formula
- C9H16N2O5S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.07799279
Names & identifiers
- Preferred name
- 4-[4-(Methylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid
- IUPAC
- 4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanoic acid
- English name
- 4-[4-(Methylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid
- Molecular formula
- C9H16N2O5S
- Molecular weight
- 264.3
Names & synonyms
899019-04-64-[4-(methylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid4-(4-methanesulfonylpiperazin-1-yl)-4-oxobutanoic acidMFCD060587964-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanoic acid4-(4-(Methylsulfonyl)piperazin-1-yl)-4-oxobutanoic acid1-piperazinebutanoic acid, 4-(methylsulfonyl)-gamma-oxo-4-(4-methylsulfonylpiperazin-1-yl)-4-oxo-butanoic AcidHMS1606F21ALBB-015543STK409452AKOS003317494
Show more names
IVK/00217894-keto-4-(4-mesylpiperazin-1-yl)butyric acid1-Piperazinebutanoic acid, 4-(methylsulfonyl)-γ-oxo-4-(4-methylsulfonyl-1-piperazinyl)-4-oxobutanoic acid4-(4-Methanesulfonyl-piperazin-1-yl)-4-oxo-butyric acid
VS-03986CS-0237710ST50833448EN300-186538G485454-[4-(methylsulfonyl)piperazinyl]-4-oxobutanoic acid4-(4-(Methylsulfonyl)piperazin-1-yl)-4-oxobutanoicacidZ608660108
Database identifiers
- CAS
899019-04-6- PubChem CID
- 6469862
- EC Number
- 193-474-4
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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