(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C8H13NO6S2 — CID 54951256

IUPAC(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO6S2/c1-15-7(10)2-3-17(13,14)9-5-16-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyACVXYMQCVVRLQR-LURJTMIESA-N
MW283.33 g/mol
LogP-0.66
Rot. Bonds5

About (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54951256) has the molecular formula C8H13NO6S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID54951256
Molecular FormulaC8H13NO6S2
Molecular Weight283.33 g/mol
Exact Mass283.02
IUPAC Name(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO6S2/c1-15-7(10)2-3-17(13,14)9-5-16-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyACVXYMQCVVRLQR-LURJTMIESA-N
XLogP-0.66
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779888
1-(6-methoxy-6-oxohexyl)sulfonylpiperidine-2-carboxylic acid
CID 122070228
3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172894
3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61455654
(4R)-3-(cyclopropylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104937084
1-(4-methoxy-4-oxobutyl)sulfonyl-5-oxopiperazine-2-carboxylic acid
CID 107435343
(4R)-3-pyrrolidin-1-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 28784467
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
methyl 3-(3-aminoazetidin-1-yl)sulfonylpropanoate
CID 65244767
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)propanoate
CID 66794420

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 54951256) is (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is COC(=O)CCS(=O)(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ACVXYMQCVVRLQR-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO6S2/c1-15-7(10)2-3-17(13,14)9-5-16-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54951256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).