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

C22H28N2O2S — CID 51359904

IUPAC2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CCC(c4ccccc4)CC3)CS2(=O)=O)cc1
InChIInChI=1S/C22H28N2O2S/c1-18-7-9-19(10-8-18)15-24-16-22(17-27(24,25)26)23-13-11-21(12-14-23)20-5-3-2-4-6-20/h2-10,21-22H,11-17H2,1H3
InChIKeyIDQXKHUDBWTDOV-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.39
Rot. Bonds4

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

2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359904) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51359904
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CCC(c4ccccc4)CC3)CS2(=O)=O)cc1
InChIInChI=1S/C22H28N2O2S/c1-18-7-9-19(10-8-18)15-24-16-22(17-27(24,25)26)23-13-11-21(12-14-23)20-5-3-2-4-6-20/h2-10,21-22H,11-17H2,1H3
InChIKeyIDQXKHUDBWTDOV-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.39
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-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51359904) is 2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is Cc1ccc(CN2CC(N3CCC(c4ccccc4)CC3)CS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IDQXKHUDBWTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-18-7-9-19(10-8-18)15-24-16-22(17-27(24,25)26)23-13-11-21(12-14-23)20-5-3-2-4-6-20/h2-10,21-22H,11-17H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-[(4-methylphenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 384.55 g/mol, XLogP of 3.39, 4 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-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).