4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide

C15H20N2O2S — CID 51359906

IUPAC4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CC=CC3)CS2(=O)=O)cc1
InChIInChI=1S/C15H20N2O2S/c1-13-4-6-14(7-5-13)10-17-11-15(12-20(17,18)19)16-8-2-3-9-16/h2-7,15H,8-12H2,1H3
InChIKeyLSYVXBYXLRNBAD-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.38
Rot. Bonds3

About 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide

4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359906) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51359906
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CC=CC3)CS2(=O)=O)cc1
InChIInChI=1S/C15H20N2O2S/c1-13-4-6-14(7-5-13)10-17-11-15(12-20(17,18)19)16-8-2-3-9-16/h2-7,15H,8-12H2,1H3
InChIKeyLSYVXBYXLRNBAD-UHFFFAOYSA-N
XLogP1.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 51359906) is 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide is Cc1ccc(CN2CC(N3CC=CC3)CS2(=O)=O)cc1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LSYVXBYXLRNBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-13-4-6-14(7-5-13)10-17-11-15(12-20(17,18)19)16-8-2-3-9-16/h2-7,15H,8-12H2,1H3.
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 292.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).