(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid

C13H19N3O4S — CID 126509085

IUPAC(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid
SMILESC[C@@H]1CN(S(=O)(=O)Nc2ccccc2)C[C@H](C)N1C(=O)O
InChIInChI=1S/C13H19N3O4S/c1-10-8-15(9-11(2)16(10)13(17)18)21(19,20)14-12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3,(H,17,18)/t10-,11+
InChIKeyBRTWARHAHFPJQF-PHIMTYICSA-N
MW313.38 g/mol
LogP1.42
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid

(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid (PubChem CID 126509085) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid
PubChem CID126509085
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid
SMILESC[C@@H]1CN(S(=O)(=O)Nc2ccccc2)C[C@H](C)N1C(=O)O
InChIInChI=1S/C13H19N3O4S/c1-10-8-15(9-11(2)16(10)13(17)18)21(19,20)14-12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3,(H,17,18)/t10-,11+
InChIKeyBRTWARHAHFPJQF-PHIMTYICSA-N
XLogP1.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid (CID 126509085) is (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid is C[C@@H]1CN(S(=O)(=O)Nc2ccccc2)C[C@H](C)N1C(=O)O.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid?
The InChIKey is BRTWARHAHFPJQF-PHIMTYICSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-8-15(9-11(2)16(10)13(17)18)21(19,20)14-12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3,(H,17,18)/t10-,11+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid?
(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 126509085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).