N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide

C9H13N3O5S — CID 80643768

IUPACN-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide
SMILESCC(=O)c1c[nH]c(=O)n(CCNS(C)(=O)=O)c1=O
InChIInChI=1S/C9H13N3O5S/c1-6(13)7-5-10-9(15)12(8(7)14)4-3-11-18(2,16)17/h5,11H,3-4H2,1-2H3,(H,10,15)
InChIKeyOLBZEFDPRVKRHL-UHFFFAOYSA-N
MW275.29 g/mol
LogP-1.71
Rot. Bonds5

About N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide

N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide (PubChem CID 80643768) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide
PubChem CID80643768
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC NameN-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide
SMILESCC(=O)c1c[nH]c(=O)n(CCNS(C)(=O)=O)c1=O
InChIInChI=1S/C9H13N3O5S/c1-6(13)7-5-10-9(15)12(8(7)14)4-3-11-18(2,16)17/h5,11H,3-4H2,1-2H3,(H,10,15)
InChIKeyOLBZEFDPRVKRHL-UHFFFAOYSA-N
XLogP-1.71
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide (CID 80643768) is N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide is CC(=O)c1c[nH]c(=O)n(CCNS(C)(=O)=O)c1=O.
What is the InChIKey of N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide?
The InChIKey is OLBZEFDPRVKRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-6(13)7-5-10-9(15)12(8(7)14)4-3-11-18(2,16)17/h5,11H,3-4H2,1-2H3,(H,10,15).
What are the key properties of N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide?
N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide has a molecular weight of 275.29 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 80643768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).