N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

C7H11N3O4S — CID 17479447

IUPACN,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O4S/c1-8-15(13,14)5-4-9(2)7(12)10(3)6(5)11/h4,8H,1-3H3
InChIKeyZLHQNMSDTAKWCH-UHFFFAOYSA-N
MW233.25 g/mol
LogP-2.01
Rot. Bonds2

About N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 17479447) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID17479447
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC NameN,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O4S/c1-8-15(13,14)5-4-9(2)7(12)10(3)6(5)11/h4,8H,1-3H3
InChIKeyZLHQNMSDTAKWCH-UHFFFAOYSA-N
XLogP-2.01
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 17479447) is N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is ZLHQNMSDTAKWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-8-15(13,14)5-4-9(2)7(12)10(3)6(5)11/h4,8H,1-3H3.
What are the key properties of N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of -2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 17479447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).