4-methylsulfonylpiperazine-2-carboxylic acid

C6H12N2O4S — CID 18387698

IUPAC4-methylsulfonylpiperazine-2-carboxylic acid
SMILESCS(=O)(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-13(11,12)8-3-2-7-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyHZTRYZWVYLAIPI-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.70
Rot. Bonds2

About 4-methylsulfonylpiperazine-2-carboxylic acid

4-methylsulfonylpiperazine-2-carboxylic acid (PubChem CID 18387698) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-methylsulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-methylsulfonylpiperazine-2-carboxylic acid
PubChem CID18387698
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name4-methylsulfonylpiperazine-2-carboxylic acid
SMILESCS(=O)(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-13(11,12)8-3-2-7-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyHZTRYZWVYLAIPI-UHFFFAOYSA-N
XLogP-1.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperazine-2-carboxylic acid?
The IUPAC name of 4-methylsulfonylpiperazine-2-carboxylic acid (CID 18387698) is 4-methylsulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-methylsulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-methylsulfonylpiperazine-2-carboxylic acid is CS(=O)(=O)N1CCNC(C(=O)O)C1.
What is the InChIKey of 4-methylsulfonylpiperazine-2-carboxylic acid?
The InChIKey is HZTRYZWVYLAIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-13(11,12)8-3-2-7-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-methylsulfonylpiperazine-2-carboxylic acid?
4-methylsulfonylpiperazine-2-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of -1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 18387698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).