2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

C20H31FN4O2S — CID 51360642

IUPAC2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCN(C3CN(Cc4ccc(F)cc4)S(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C20H31FN4O2S/c1-22-8-6-19(7-9-22)23-10-12-24(13-11-23)20-15-25(28(26,27)16-20)14-17-2-4-18(21)5-3-17/h2-5,19-20H,6-16H2,1H3
InChIKeyFTSOZJGWSYLPJS-UHFFFAOYSA-N
MW410.56 g/mol
LogP1.05
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360642) has the molecular formula C20H31FN4O2S and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51360642
Molecular FormulaC20H31FN4O2S
Molecular Weight410.56 g/mol
Exact Mass410.22
IUPAC Name2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCC(N2CCN(C3CN(Cc4ccc(F)cc4)S(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C20H31FN4O2S/c1-22-8-6-19(7-9-22)23-10-12-24(13-11-23)20-15-25(28(26,27)16-20)14-17-2-4-18(21)5-3-17/h2-5,19-20H,6-16H2,1H3
InChIKeyFTSOZJGWSYLPJS-UHFFFAOYSA-N
XLogP1.05
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51360642) is 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is CN1CCC(N2CCN(C3CN(Cc4ccc(F)cc4)S(=O)(=O)C3)CC2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FTSOZJGWSYLPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O2S/c1-22-8-6-19(7-9-22)23-10-12-24(13-11-23)20-15-25(28(26,27)16-20)14-17-2-4-18(21)5-3-17/h2-5,19-20H,6-16H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 410.56 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).