(3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid

C14H23N5O4S — CID 91139234

IUPAC(3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid
SMILESC[C@H](CC(=O)O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H23N5O4S/c1-11(10-13(20)21)14-15-5-4-12(16-14)18-6-8-19(9-7-18)24(22,23)17(2)3/h4-5,11H,6-10H2,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyZPQONVKHBPMFLW-LLVKDONJSA-N
MW357.44 g/mol
LogP-0.02
Rot. Bonds6

About (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid

(3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid (PubChem CID 91139234) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid
PubChem CID91139234
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC Name(3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid
SMILESC[C@H](CC(=O)O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H23N5O4S/c1-11(10-13(20)21)14-15-5-4-12(16-14)18-6-8-19(9-7-18)24(22,23)17(2)3/h4-5,11H,6-10H2,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyZPQONVKHBPMFLW-LLVKDONJSA-N
XLogP-0.02
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid?
The IUPAC name of (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid (CID 91139234) is (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid.
What is the SMILES notation for (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid?
The canonical SMILES for (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid is C[C@H](CC(=O)O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1.
What is the InChIKey of (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid?
The InChIKey is ZPQONVKHBPMFLW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-11(10-13(20)21)14-15-5-4-12(16-14)18-6-8-19(9-7-18)24(22,23)17(2)3/h4-5,11H,6-10H2,1-3H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid?
(3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid has a molecular weight of 357.44 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]butanoic acid is sourced from PubChem (CID 91139234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).