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

C10H17N3O4S — CID 17495959

IUPACN-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O4S/c1-4-5-6-11-18(16,17)8-7-12(2)10(15)13(3)9(8)14/h7,11H,4-6H2,1-3H3
InChIKeyPIYJTQDBKGUHAF-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.84
Rot. Bonds5

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

N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 17495959) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID17495959
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC NameN-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O4S/c1-4-5-6-11-18(16,17)8-7-12(2)10(15)13(3)9(8)14/h7,11H,4-6H2,1-3H3
InChIKeyPIYJTQDBKGUHAF-UHFFFAOYSA-N
XLogP-0.84
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 17495959) is N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CCCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is PIYJTQDBKGUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-5-6-11-18(16,17)8-7-12(2)10(15)13(3)9(8)14/h7,11H,4-6H2,1-3H3.
What are the key properties of N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of -0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 17495959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).