(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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Related Compounds

(2S)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine-2-carboxylic acid
CID 90816332
4-acetyl-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine-2-carboxylic acid
CID 91019493
4-acetyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 90713030
4-acetyl-1-(3,4-dichlorophenyl)sulfonylpiperazine-2-carboxylic acid
CID 91537330
4-acetyl-1-(3-bromophenyl)sulfonylpiperazine-2-carboxylic acid
CID 91321253
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
1-(4-cyclopropylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylic acid
CID 166258709
4-acetyl-1-(2,4-dichlorophenyl)sulfonylpiperazine-2-carboxylic acid
CID 90987575
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonylpiperazine-2-carboxamide
CID 140991391
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2S)-1-[4-(bromomethyl)phenyl]sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 97173923
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870

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).