(2-oxo-1H-pyrimidin-6-yl)sulfamic acid

C4H5N3O4S — CID 66830786

IUPAC(2-oxo-1H-pyrimidin-6-yl)sulfamic acid
SMILESO=c1nccc(NS(=O)(=O)O)[nH]1
InChIInChI=1S/C4H5N3O4S/c8-4-5-2-1-3(6-4)7-12(9,10)11/h1-2H,(H,9,10,11)(H2,5,6,7,8)
InChIKeyQPKLDXXSEQZWCS-UHFFFAOYSA-N
MW191.17 g/mol
LogP-1.02
Rot. Bonds2

About (2-oxo-1H-pyrimidin-6-yl)sulfamic acid

(2-oxo-1H-pyrimidin-6-yl)sulfamic acid (PubChem CID 66830786) has the molecular formula C4H5N3O4S and a molecular weight of 191.17 g/mol. Its IUPAC name is (2-oxo-1H-pyrimidin-6-yl)sulfamic acid.

Molecular Properties

Compound Name(2-oxo-1H-pyrimidin-6-yl)sulfamic acid
PubChem CID66830786
Molecular FormulaC4H5N3O4S
Molecular Weight191.17 g/mol
Exact Mass191.00
IUPAC Name(2-oxo-1H-pyrimidin-6-yl)sulfamic acid
SMILESO=c1nccc(NS(=O)(=O)O)[nH]1
InChIInChI=1S/C4H5N3O4S/c8-4-5-2-1-3(6-4)7-12(9,10)11/h1-2H,(H,9,10,11)(H2,5,6,7,8)
InChIKeyQPKLDXXSEQZWCS-UHFFFAOYSA-N
XLogP-1.02
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyrimidin-6-yl)sulfamic acid?
The IUPAC name of (2-oxo-1H-pyrimidin-6-yl)sulfamic acid (CID 66830786) is (2-oxo-1H-pyrimidin-6-yl)sulfamic acid.
What is the SMILES notation for (2-oxo-1H-pyrimidin-6-yl)sulfamic acid?
The canonical SMILES for (2-oxo-1H-pyrimidin-6-yl)sulfamic acid is O=c1nccc(NS(=O)(=O)O)[nH]1.
What is the InChIKey of (2-oxo-1H-pyrimidin-6-yl)sulfamic acid?
The InChIKey is QPKLDXXSEQZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O4S/c8-4-5-2-1-3(6-4)7-12(9,10)11/h1-2H,(H,9,10,11)(H2,5,6,7,8).
What are the key properties of (2-oxo-1H-pyrimidin-6-yl)sulfamic acid?
(2-oxo-1H-pyrimidin-6-yl)sulfamic acid has a molecular weight of 191.17 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyrimidin-6-yl)sulfamic acid is sourced from PubChem (CID 66830786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).