(8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid

C7H10N4O4S2 — CID 10265554

IUPAC(8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid
SMILESNc1nc2n(c(=O)c1NS(=O)(=O)O)CCCS2
InChIInChI=1S/C7H10N4O4S2/c8-5-4(10-17(13,14)15)6(12)11-2-1-3-16-7(11)9-5/h10H,1-3,8H2,(H,13,14,15)
InChIKeyLYEMNKWJRALJKO-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.46
Rot. Bonds2

About (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid

(8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid (PubChem CID 10265554) has the molecular formula C7H10N4O4S2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid.

Molecular Properties

Compound Name(8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid
PubChem CID10265554
Molecular FormulaC7H10N4O4S2
Molecular Weight278.31 g/mol
Exact Mass278.01
IUPAC Name(8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid
SMILESNc1nc2n(c(=O)c1NS(=O)(=O)O)CCCS2
InChIInChI=1S/C7H10N4O4S2/c8-5-4(10-17(13,14)15)6(12)11-2-1-3-16-7(11)9-5/h10H,1-3,8H2,(H,13,14,15)
InChIKeyLYEMNKWJRALJKO-UHFFFAOYSA-N
XLogP-0.46
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid?
The IUPAC name of (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid (CID 10265554) is (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid.
What is the SMILES notation for (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid?
The canonical SMILES for (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid is Nc1nc2n(c(=O)c1NS(=O)(=O)O)CCCS2.
What is the InChIKey of (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid?
The InChIKey is LYEMNKWJRALJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S2/c8-5-4(10-17(13,14)15)6(12)11-2-1-3-16-7(11)9-5/h10H,1-3,8H2,(H,13,14,15).
What are the key properties of (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid?
(8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid has a molecular weight of 278.31 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)sulfamic acid is sourced from PubChem (CID 10265554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).