N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C7H11N3O5S — CID 60700424

IUPACN-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCONS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O5S/c1-9-4-5(16(13,14)8-15-3)6(11)10(2)7(9)12/h4,8H,1-3H3
InChIKeyQBHXPXLURSDVGX-UHFFFAOYSA-N
MW249.25 g/mol
LogP-2.08
Rot. Bonds3

About N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 60700424) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID60700424
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC NameN-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCONS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O5S/c1-9-4-5(16(13,14)8-15-3)6(11)10(2)7(9)12/h4,8H,1-3H3
InChIKeyQBHXPXLURSDVGX-UHFFFAOYSA-N
XLogP-2.08
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl fluoride
CID 122236176
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 120717981
methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624369
N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475132
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196326
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 5310306
1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 43540611
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 60700424) is N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CONS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is QBHXPXLURSDVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5S/c1-9-4-5(16(13,14)8-15-3)6(11)10(2)7(9)12/h4,8H,1-3H3.
What are the key properties of N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of -2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 60700424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).