(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H15NO5S2 — CID 104517522

IUPAC(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H15NO5S2/c12-9(8-3-1-2-4-18(8,15)16)11-6-17-5-7(11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8?/m0/s1
InChIKeyDGUUTBJPIPHDEY-JAMMHHFISA-N
MW293.37 g/mol
LogP-0.06
Rot. Bonds2

About (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104517522) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID104517522
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H15NO5S2/c12-9(8-3-1-2-4-18(8,15)16)11-6-17-5-7(11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8?/m0/s1
InChIKeyDGUUTBJPIPHDEY-JAMMHHFISA-N
XLogP-0.06
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143598
1-(1,1-dioxothiane-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741917
2-(1,1-dioxothiane-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890557
3-(cyclopentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188658
(1,1-dioxothian-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635971
3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62758263
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107175135
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61407362
(4R)-3-[(2S,5S)-5-hydroxypyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 174580522
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 104517522) is (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DGUUTBJPIPHDEY-JAMMHHFISA-N. The full InChI is InChI=1S/C10H15NO5S2/c12-9(8-3-1-2-4-18(8,15)16)11-6-17-5-7(11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8?/m0/s1.
What are the key properties of (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104517522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).