2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate

C7H11N3O6S — CID 15954381

IUPAC2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate
SMILESNS(=O)(=O)OCCOCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O6S/c8-17(13,14)16-4-3-15-5-10-2-1-6(11)9-7(10)12/h1-2H,3-5H2,(H2,8,13,14)(H,9,11,12)
InChIKeyIWWTYNDIVQZSOD-UHFFFAOYSA-N
MW265.25 g/mol
LogP-2.27
Rot. Bonds6

About 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate

2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate (PubChem CID 15954381) has the molecular formula C7H11N3O6S and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate.

Molecular Properties

Compound Name2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate
PubChem CID15954381
Molecular FormulaC7H11N3O6S
Molecular Weight265.25 g/mol
Exact Mass265.04
IUPAC Name2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate
SMILESNS(=O)(=O)OCCOCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O6S/c8-17(13,14)16-4-3-15-5-10-2-1-6(11)9-7(10)12/h1-2H,3-5H2,(H2,8,13,14)(H,9,11,12)
InChIKeyIWWTYNDIVQZSOD-UHFFFAOYSA-N
XLogP-2.27
TPSA133.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-2.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate?
The IUPAC name of 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate (CID 15954381) is 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate.
What is the SMILES notation for 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate?
The canonical SMILES for 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate is NS(=O)(=O)OCCOCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate?
The InChIKey is IWWTYNDIVQZSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O6S/c8-17(13,14)16-4-3-15-5-10-2-1-6(11)9-7(10)12/h1-2H,3-5H2,(H2,8,13,14)(H,9,11,12).
What are the key properties of 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate?
2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate has a molecular weight of 265.25 g/mol, XLogP of -2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate is sourced from PubChem (CID 15954381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).