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

C11H15N3O6S — CID 63042760

IUPAC3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H15N3O6S/c15-9-8(5-12-11(18)13-9)21(19,20)14-7-3-1-2-6(4-7)10(16)17/h5-7,14H,1-4H2,(H,16,17)(H2,12,13,15,18)
InChIKeyAENSHPWWHBZNDW-UHFFFAOYSA-N
MW317.32 g/mol
LogP-1.02
Rot. Bonds4

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

3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042760) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID63042760
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H15N3O6S/c15-9-8(5-12-11(18)13-9)21(19,20)14-7-3-1-2-6(4-7)10(16)17/h5-7,14H,1-4H2,(H,16,17)(H2,12,13,15,18)
InChIKeyAENSHPWWHBZNDW-UHFFFAOYSA-N
XLogP-1.02
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 63042760) is 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AENSHPWWHBZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c15-9-8(5-12-11(18)13-9)21(19,20)14-7-3-1-2-6(4-7)10(16)17/h5-7,14H,1-4H2,(H,16,17)(H2,12,13,15,18).
What are the key properties of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of -1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).