2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid

C16H24N2O4S — CID 119134269

IUPAC2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C(=O)O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)14-4-6-15(7-5-14)23(21,22)18-10-8-17(9-11-18)13(3)16(19)20/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyHVPGMNYGZDXGDD-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid

2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid (PubChem CID 119134269) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
PubChem CID119134269
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C(=O)O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)14-4-6-15(7-5-14)23(21,22)18-10-8-17(9-11-18)13(3)16(19)20/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKeyHVPGMNYGZDXGDD-UHFFFAOYSA-N
XLogP1.59
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoic acid
CID 119134386
(2S)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoic acid
CID 124692125
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26301263
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
3-methyl-5-oxo-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid
CID 6469150
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17377415

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid (CID 119134269) is 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid is CC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid?
The InChIKey is HVPGMNYGZDXGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)14-4-6-15(7-5-14)23(21,22)18-10-8-17(9-11-18)13(3)16(19)20/h4-7,12-13H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid?
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid has a molecular weight of 340.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid is sourced from PubChem (CID 119134269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).