3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione

C16H20N2O4S2 — CID 121155348

IUPAC3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)c1C
InChIInChI=1S/C16H20N2O4S2/c1-9-5-10(2)12(4)15(11(9)3)24(21,22)17-6-13(7-17)18-14(19)8-23-16(18)20/h5,13H,6-8H2,1-4H3
InChIKeyOWERJHDKWBSCIC-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.99
Rot. Bonds3

About 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121155348) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121155348
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)c1C
InChIInChI=1S/C16H20N2O4S2/c1-9-5-10(2)12(4)15(11(9)3)24(21,22)17-6-13(7-17)18-14(19)8-23-16(18)20/h5,13H,6-8H2,1-4H3
InChIKeyOWERJHDKWBSCIC-UHFFFAOYSA-N
XLogP1.99
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2,6-dichlorophenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155376
3-[(3S)-1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991927
3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155375
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160104
3-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 86265494
3-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157226
3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991867
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984054
1-cyclopropyl-6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156144
3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine
CID 90593214
6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
CID 146153229
1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
CID 7406129

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 121155348) is 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione is Cc1cc(C)c(C)c(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)c1C.
What is the InChIKey of 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OWERJHDKWBSCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-9-5-10(2)12(4)15(11(9)3)24(21,22)17-6-13(7-17)18-14(19)8-23-16(18)20/h5,13H,6-8H2,1-4H3.
What are the key properties of 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 368.48 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121155348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).