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

C9H13NO5S2 — CID 61143598

IUPAC(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13NO5S2/c11-8(6-1-2-17(14,15)4-6)10-5-16-3-7(10)9(12)13/h6-7H,1-5H2,(H,12,13)/t6?,7-/m0/s1
InChIKeyQQKYAKRBTMCYDU-MLWJPKLSSA-N
MW279.34 g/mol
LogP-0.59
Rot. Bonds2

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

(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143598) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143598
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC Name(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13NO5S2/c11-8(6-1-2-17(14,15)4-6)10-5-16-3-7(10)9(12)13/h6-7H,1-5H2,(H,12,13)/t6?,7-/m0/s1
InChIKeyQQKYAKRBTMCYDU-MLWJPKLSSA-N
XLogP-0.59
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355636
(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104517522
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359164
3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62758263
(4R)-3-[(2S,5S)-5-hydroxypyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 174580522
1-(1,1-dioxothiolane-3-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427094
(3S)-2-[(3R)-1,1-dioxothiolane-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125149565
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359555

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61143598) is (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QQKYAKRBTMCYDU-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H13NO5S2/c11-8(6-1-2-17(14,15)4-6)10-5-16-3-7(10)9(12)13/h6-7H,1-5H2,(H,12,13)/t6?,7-/m0/s1.
What are the key properties of (4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of -0.59, 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-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).