1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide

C11H17N3O4S — CID 113236593

IUPAC1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O4S/c1-4-5-6-7-12-19(17,18)9-8-13(2)11(16)14(3)10(9)15/h4-5,8,12H,6-7H2,1-3H3/b5-4+
InChIKeyFOVKVYYWJWVQFN-SNAWJCMRSA-N
MW287.34 g/mol
LogP-0.67
Rot. Bonds5

About 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide (PubChem CID 113236593) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
PubChem CID113236593
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O4S/c1-4-5-6-7-12-19(17,18)9-8-13(2)11(16)14(3)10(9)15/h4-5,8,12H,6-7H2,1-3H3/b5-4+
InChIKeyFOVKVYYWJWVQFN-SNAWJCMRSA-N
XLogP-0.67
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 120717981
N-(3-azidopropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 61343812
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531239
N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 55698162
N-(2-chloroprop-2-enyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115638560
N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106141539
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide (CID 113236593) is 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide is C/C=C/CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide?
The InChIKey is FOVKVYYWJWVQFN-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-4-5-6-7-12-19(17,18)9-8-13(2)11(16)14(3)10(9)15/h4-5,8,12H,6-7H2,1-3H3/b5-4+.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 113236593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).