(3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid

C7H14N2O4S — CID 68806117

IUPAC(3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)CCN1S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-6-5-8(7(10)11)3-4-9(6)14(2,12)13/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyRONCAWFIFOAWPM-ZCFIWIBFSA-N
MW222.27 g/mol
LogP-0.37
Rot. Bonds1

About (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid

(3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid (PubChem CID 68806117) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid
PubChem CID68806117
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)CCN1S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-6-5-8(7(10)11)3-4-9(6)14(2,12)13/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyRONCAWFIFOAWPM-ZCFIWIBFSA-N
XLogP-0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid (CID 68806117) is (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid is C[C@@H]1CN(C(=O)O)CCN1S(C)(=O)=O.
What is the InChIKey of (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid?
The InChIKey is RONCAWFIFOAWPM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-6-5-8(7(10)11)3-4-9(6)14(2,12)13/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid?
(3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-methylsulfonylpiperazine-1-carboxylic acid is sourced from PubChem (CID 68806117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).