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

C10H13N3O6S2 — CID 28522401

IUPAC(4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CSC[C@H]2C(=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)/t6-/m0/s1
InChIKeyWFCSLHNTFJXBIC-LURJTMIESA-N
MW335.36 g/mol
LogP-1.77
Rot. Bonds3

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

(4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28522401) has the molecular formula C10H13N3O6S2 and a molecular weight of 335.36 g/mol. Its IUPAC name is (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID28522401
Molecular FormulaC10H13N3O6S2
Molecular Weight335.36 g/mol
Exact Mass335.02
IUPAC Name(4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CSC[C@H]2C(=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)/t6-/m0/s1
InChIKeyWFCSLHNTFJXBIC-LURJTMIESA-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 (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 28522401) is (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is Cn1cc(S(=O)(=O)N2CSC[C@H]2C(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WFCSLHNTFJXBIC-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-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 (4R)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28522401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).