3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C10H13N3O6S2 — CID 43094657

IUPAC3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CSCC2C(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O6S2/c1-11-3-7(8(14)12(2)10(11)17)21(18,19)13-5-20-4-6(13)9(15)16/h3,6H,4-5H2,1-2H3,(H,15,16)
InChIKeyWFCSLHNTFJXBIC-UHFFFAOYSA-N
MW335.36 g/mol
LogP-1.77
Rot. Bonds3

About 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43094657) has the molecular formula C10H13N3O6S2 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID43094657
Molecular FormulaC10H13N3O6S2
Molecular Weight335.36 g/mol
Exact Mass335.02
IUPAC Name3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CSCC2C(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O6S2/c1-11-3-7(8(14)12(2)10(11)17)21(18,19)13-5-20-4-6(13)9(15)16/h3,6H,4-5H2,1-2H3,(H,15,16)
InChIKeyWFCSLHNTFJXBIC-UHFFFAOYSA-N
XLogP-1.77
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 43094657) is 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is Cn1cc(S(=O)(=O)N2CSCC2C(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WFCSLHNTFJXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S2/c1-11-3-7(8(14)12(2)10(11)17)21(18,19)13-5-20-4-6(13)9(15)16/h3,6H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of -1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43094657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).