4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid

C10H21N3O6S2 — CID 60951985

IUPAC4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C10H21N3O6S2/c1-11(2)21(18,19)13-7-5-12(6-8-13)20(16,17)9-3-4-10(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyXBQPJLSQTBRWPX-UHFFFAOYSA-N
MW343.43 g/mol
LogP-1.39
Rot. Bonds7

About 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid

4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid (PubChem CID 60951985) has the molecular formula C10H21N3O6S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
PubChem CID60951985
Molecular FormulaC10H21N3O6S2
Molecular Weight343.43 g/mol
Exact Mass343.09
IUPAC Name4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C10H21N3O6S2/c1-11(2)21(18,19)13-7-5-12(6-8-13)20(16,17)9-3-4-10(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyXBQPJLSQTBRWPX-UHFFFAOYSA-N
XLogP-1.39
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxycarbonylpiperazin-1-yl)sulfonylbutanoic acid
CID 54916113
4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43501356
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbutanoic acid
CID 60950984
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508
4-(2,6-dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43209518
4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid
CID 107215708
3-(4-tert-butylpiperazin-1-yl)sulfonylpropanoic acid
CID 61432663
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)butanoic acid
CID 115559214
2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115586808
3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
CID 61455914
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)butanoic acid
CID 64575399

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid?
The IUPAC name of 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid (CID 60951985) is 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid.
What is the SMILES notation for 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid?
The canonical SMILES for 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid is CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCC(=O)O)CC1.
What is the InChIKey of 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid?
The InChIKey is XBQPJLSQTBRWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O6S2/c1-11(2)21(18,19)13-7-5-12(6-8-13)20(16,17)9-3-4-10(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid?
4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid has a molecular weight of 343.43 g/mol, XLogP of -1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid is sourced from PubChem (CID 60951985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).