4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine

C18H20N4O2S2 — CID 2099434

IUPAC4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C18H20N4O2S2/c1-13-3-4-14(2)16(11-13)26(23,24)22-8-6-21(7-9-22)17-15-5-10-25-18(15)20-12-19-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyWZXFFOQTNFPNAM-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.82
Rot. Bonds3

About 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 2099434) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID2099434
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C18H20N4O2S2/c1-13-3-4-14(2)16(11-13)26(23,24)22-8-6-21(7-9-22)17-15-5-10-25-18(15)20-12-19-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyWZXFFOQTNFPNAM-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine 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 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (CID 2099434) is 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is WZXFFOQTNFPNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-13-3-4-14(2)16(11-13)26(23,24)22-8-6-21(7-9-22)17-15-5-10-25-18(15)20-12-19-17/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 388.52 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2099434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).