6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid

C10H15N3O6S — CID 43351331

IUPAC6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O6S/c14-8(15)4-2-1-3-5-12-20(18,19)7-6-11-10(17)13-9(7)16/h6,12H,1-5H2,(H,14,15)(H2,11,13,16,17)
InChIKeyQJKYWYYLODJKQS-UHFFFAOYSA-N
MW305.31 g/mol
LogP-1.01
Rot. Bonds8

About 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid

6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid (PubChem CID 43351331) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid
PubChem CID43351331
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O6S/c14-8(15)4-2-1-3-5-12-20(18,19)7-6-11-10(17)13-9(7)16/h6,12H,1-5H2,(H,14,15)(H2,11,13,16,17)
InChIKeyQJKYWYYLODJKQS-UHFFFAOYSA-N
XLogP-1.01
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic 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 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid (CID 43351331) is 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid is O=C(O)CCCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid?
The InChIKey is QJKYWYYLODJKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c14-8(15)4-2-1-3-5-12-20(18,19)7-6-11-10(17)13-9(7)16/h6,12H,1-5H2,(H,14,15)(H2,11,13,16,17).
What are the key properties of 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid?
6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid has a molecular weight of 305.31 g/mol, XLogP of -1.01, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43351331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).