1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide

C11H15N3O4S — CID 113245393

IUPAC1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4S/c1-5-6-8(2)12-19(17,18)9-7-13(3)11(16)14(4)10(9)15/h1,7-8,12H,6H2,2-4H3
InChIKeyWDDYFGCOOVUHJJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP-1.23
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide (PubChem CID 113245393) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide
PubChem CID113245393
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4S/c1-5-6-8(2)12-19(17,18)9-7-13(3)11(16)14(4)10(9)15/h1,7-8,12H,6H2,2-4H3
InChIKeyWDDYFGCOOVUHJJ-UHFFFAOYSA-N
XLogP-1.23
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 62094209
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935018
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47013196
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
1-methyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
CID 115662679
1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 51249055
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26201902
1,3-dimethyl-2,4-dioxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 24511010
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
4-chloro-N-pent-4-yn-2-ylbenzenesulfonamide
CID 115662676

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide (CID 113245393) is 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide is C#CCC(C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide?
The InChIKey is WDDYFGCOOVUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-5-6-8(2)12-19(17,18)9-7-13(3)11(16)14(4)10(9)15/h1,7-8,12H,6H2,2-4H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide has a molecular weight of 285.32 g/mol, XLogP of -1.23, 4 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-pent-4-yn-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 113245393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).