3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C9H17NO4S2 — CID 63779402

IUPAC3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C9H17NO4S2/c1-4-16(13,14)10-7(9(11)12)5-15-8(10)6(2)3/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyPPDZLZCSQDKPBY-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.82
Rot. Bonds4

About 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779402) has the molecular formula C9H17NO4S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779402
Molecular FormulaC9H17NO4S2
Molecular Weight267.37 g/mol
Exact Mass267.06
IUPAC Name3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C9H17NO4S2/c1-4-16(13,14)10-7(9(11)12)5-15-8(10)6(2)3/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyPPDZLZCSQDKPBY-UHFFFAOYSA-N
XLogP0.82
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114806191
3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780281
2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781857
3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780634
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235148
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235898
3-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 80577354
3-[(5-bromo-3-pyridinyl)sulfonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780108
3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780098
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779729

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63779402) is 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCS(=O)(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PPDZLZCSQDKPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S2/c1-4-16(13,14)10-7(9(11)12)5-15-8(10)6(2)3/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).