5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C10H9N3O6S2 — CID 43172845

IUPAC5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)sc1C(=O)O
InChIInChI=1S/C10H9N3O6S2/c1-4-2-6(20-7(4)9(15)16)13-21(18,19)5-3-11-10(17)12-8(5)14/h2-3,13H,1H3,(H,15,16)(H2,11,12,14,17)
InChIKeyBNVVVINCWXCWTF-UHFFFAOYSA-N
MW331.33 g/mol
LogP-0.07
Rot. Bonds4

About 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43172845) has the molecular formula C10H9N3O6S2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43172845
Molecular FormulaC10H9N3O6S2
Molecular Weight331.33 g/mol
Exact Mass330.99
IUPAC Name5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)sc1C(=O)O
InChIInChI=1S/C10H9N3O6S2/c1-4-2-6(20-7(4)9(15)16)13-21(18,19)5-3-11-10(17)12-8(5)14/h2-3,13H,1H3,(H,15,16)(H2,11,12,14,17)
InChIKeyBNVVVINCWXCWTF-UHFFFAOYSA-N
XLogP-0.07
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 43172845) is 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)sc1C(=O)O.
What is the InChIKey of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is BNVVVINCWXCWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O6S2/c1-4-2-6(20-7(4)9(15)16)13-21(18,19)5-3-11-10(17)12-8(5)14/h2-3,13H,1H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43172845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).