3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C14H19NO4S2 — CID 63780634

IUPAC3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(S(=O)(=O)N2C(C(=O)O)CSC2C(C)C)c1
InChIInChI=1S/C14H19NO4S2/c1-9(2)13-15(12(8-20-13)14(16)17)21(18,19)11-6-4-5-10(3)7-11/h4-7,9,12-13H,8H2,1-3H3,(H,16,17)
InChIKeyIBXVQPVHHWUBLM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.17
Rot. Bonds4

About 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780634) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780634
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(S(=O)(=O)N2C(C(=O)O)CSC2C(C)C)c1
InChIInChI=1S/C14H19NO4S2/c1-9(2)13-15(12(8-20-13)14(16)17)21(18,19)11-6-4-5-10(3)7-11/h4-7,9,12-13H,8H2,1-3H3,(H,16,17)
InChIKeyIBXVQPVHHWUBLM-UHFFFAOYSA-N
XLogP2.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-3-pyridinyl)sulfonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780108
2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235148
3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780237
3-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 80577354
3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779402
3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780281
3-(3,4-dichlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780418
3-(2-bromo-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780948
2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114806191
3-(2-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779887
3-(3-hydroxybenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780688
3-[2-(3-chlorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779623

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63780634) is 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is Cc1cccc(S(=O)(=O)N2C(C(=O)O)CSC2C(C)C)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IBXVQPVHHWUBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-9(2)13-15(12(8-20-13)14(16)17)21(18,19)11-6-4-5-10(3)7-11/h4-7,9,12-13H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).