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

C15H22N2O2S — CID 51359665

IUPAC2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CCCC3)CS2(=O)=O)cc1
InChIInChI=1S/C15H22N2O2S/c1-13-4-6-14(7-5-13)10-17-11-15(12-20(17,18)19)16-8-2-3-9-16/h4-7,15H,2-3,8-12H2,1H3
InChIKeyZCZXPPCLFRVHPC-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.60
Rot. Bonds3

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

2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359665) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51359665
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CCCC3)CS2(=O)=O)cc1
InChIInChI=1S/C15H22N2O2S/c1-13-4-6-14(7-5-13)10-17-11-15(12-20(17,18)19)16-8-2-3-9-16/h4-7,15H,2-3,8-12H2,1H3
InChIKeyZCZXPPCLFRVHPC-UHFFFAOYSA-N
XLogP1.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51359665) is 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is Cc1ccc(CN2CC(N3CCCC3)CS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ZCZXPPCLFRVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13-4-6-14(7-5-13)10-17-11-15(12-20(17,18)19)16-8-2-3-9-16/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 294.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).