(2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid

C16H20N2O5S — CID 91157116

IUPAC(2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)[C@@H](C(=O)O)C1
InChIInChI=1S/C16H20N2O5S/c1-11(19)17-8-9-18(15(10-17)16(20)21)24(22,23)14-6-4-13(5-7-14)12-2-3-12/h4-7,12,15H,2-3,8-10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyZGGMVKQZIRUBNL-OAHLLOKOSA-N
MW352.41 g/mol
LogP0.87
Rot. Bonds4

About (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid

(2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid (PubChem CID 91157116) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid
PubChem CID91157116
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name(2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)[C@@H](C(=O)O)C1
InChIInChI=1S/C16H20N2O5S/c1-11(19)17-8-9-18(15(10-17)16(20)21)24(22,23)14-6-4-13(5-7-14)12-2-3-12/h4-7,12,15H,2-3,8-10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyZGGMVKQZIRUBNL-OAHLLOKOSA-N
XLogP0.87
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid (CID 91157116) is (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid is CC(=O)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid?
The InChIKey is ZGGMVKQZIRUBNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-11(19)17-8-9-18(15(10-17)16(20)21)24(22,23)14-6-4-13(5-7-14)12-2-3-12/h4-7,12,15H,2-3,8-10H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid?
(2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid has a molecular weight of 352.41 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-1-(4-cyclopropylphenyl)sulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 91157116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).