4-ethylsulfonylpiperazine-1-carboxylic acid

C7H14N2O4S — CID 59118041

IUPAC4-ethylsulfonylpiperazine-1-carboxylic acid
SMILESCCS(=O)(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-2-14(12,13)9-5-3-8(4-6-9)7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyOGNXAJXLGHBUFR-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.37
Rot. Bonds2

About 4-ethylsulfonylpiperazine-1-carboxylic acid

4-ethylsulfonylpiperazine-1-carboxylic acid (PubChem CID 59118041) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-ethylsulfonylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethylsulfonylpiperazine-1-carboxylic acid
PubChem CID59118041
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name4-ethylsulfonylpiperazine-1-carboxylic acid
SMILESCCS(=O)(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-2-14(12,13)9-5-3-8(4-6-9)7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyOGNXAJXLGHBUFR-UHFFFAOYSA-N
XLogP-0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-Trifluoroethylsulfonyl)piperazine-1-carboxylic acid
CID 140288863
4-(2-Ethylsulfonylethyl)piperazine-1-carboxylic acid
CID 20207182
4-Methylsulfonylpiperazine-1-carboxylic acid
CID 21931327
2-((4-Methylpiperazin-1-yl)sulfonyl)acetic acid
CID 28773430
4-Ethylsulfonylpiperazine-1-carbaldehyde
CID 57948607
Methyl 4-methylsulfonylpiperazine-1-carboxylate
CID 59350808
4-Cyclopropanesulfonyl-piperazine-1-carboxylic acid
CID 67979494
Iodo 4-methylsulfonylpiperazine-1-carboxylate
CID 68246654
(3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid
CID 68806117
4-Pentylsulfonylpiperazine-1-carboxylic acid
CID 69244865
3-Methyl-4-methylsulfonylpiperazine-1-carboxylic acid
CID 77556916
4-(2-Methylsulfonylethyl)piperazine-1-carboxylic acid
CID 89851636

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylpiperazine-1-carboxylic acid?
The IUPAC name of 4-ethylsulfonylpiperazine-1-carboxylic acid (CID 59118041) is 4-ethylsulfonylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-ethylsulfonylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-ethylsulfonylpiperazine-1-carboxylic acid is CCS(=O)(=O)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-ethylsulfonylpiperazine-1-carboxylic acid?
The InChIKey is OGNXAJXLGHBUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-2-14(12,13)9-5-3-8(4-6-9)7(10)11/h2-6H2,1H3,(H,10,11).
What are the key properties of 4-ethylsulfonylpiperazine-1-carboxylic acid?
4-ethylsulfonylpiperazine-1-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylpiperazine-1-carboxylic acid is sourced from PubChem (CID 59118041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).