1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide

C10H15N3O4S — CID 114616428

IUPAC1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O4S/c1-7(2)5-11-18(16,17)8-6-12(3)10(15)13(4)9(8)14/h6,11H,1,5H2,2-4H3
InChIKeyDSIAYUKERRVHFC-UHFFFAOYSA-N
MW273.31 g/mol
LogP-1.06
Rot. Bonds4

About 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide

1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 114616428) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID114616428
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O4S/c1-7(2)5-11-18(16,17)8-6-12(3)10(15)13(4)9(8)14/h6,11H,1,5H2,2-4H3
InChIKeyDSIAYUKERRVHFC-UHFFFAOYSA-N
XLogP-1.06
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115638560
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-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 55698162
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
1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
CID 113236593
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531386
N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114618261
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935018

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide (CID 114616428) is 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide is C=C(C)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is DSIAYUKERRVHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(2)5-11-18(16,17)8-6-12(3)10(15)13(4)9(8)14/h6,11H,1,5H2,2-4H3.
What are the key properties of 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide?
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 273.31 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 114616428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).