2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid

C11H22N4O5S — CID 106341217

IUPAC2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H22N4O5S/c1-13(2)21(19,20)8-3-12-11(18)15-6-4-14(5-7-15)9-10(16)17/h3-9H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyWXSLEIDDRPTQNL-UHFFFAOYSA-N
MW322.39 g/mol
LogP-1.71
Rot. Bonds6

About 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid

2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid (PubChem CID 106341217) has the molecular formula C11H22N4O5S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid
PubChem CID106341217
Molecular FormulaC11H22N4O5S
Molecular Weight322.39 g/mol
Exact Mass322.13
IUPAC Name2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H22N4O5S/c1-13(2)21(19,20)8-3-12-11(18)15-6-4-14(5-7-15)9-10(16)17/h3-9H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyWXSLEIDDRPTQNL-UHFFFAOYSA-N
XLogP-1.71
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-acetamidoethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61201886
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62824161
2-[4-(butylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824119
2-[4-(2-ethylsulfinylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 113495107
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83019678
2-[4-(2-cyclopentylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61205575
2-[4-[(4-ethoxy-4-oxobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64575856
2-[4-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823976
2-[4-(3-methylsulfanylpropylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 63959422
2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79360162
1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106341166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid (CID 106341217) is 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid is CN(C)S(=O)(=O)CCNC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is WXSLEIDDRPTQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O5S/c1-13(2)21(19,20)8-3-12-11(18)15-6-4-14(5-7-15)9-10(16)17/h3-9H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 322.39 g/mol, XLogP of -1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 106341217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).