N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C6H9N3O4S — CID 43258966

IUPACN-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O4S/c1-2-8-14(12,13)4-3-7-6(11)9-5(4)10/h3,8H,2H2,1H3,(H2,7,9,10,11)
InChIKeyZHGYRHAPJQRCLO-UHFFFAOYSA-N
MW219.22 g/mol
LogP-1.64
Rot. Bonds3

About N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 43258966) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID43258966
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC NameN-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O4S/c1-2-8-14(12,13)4-3-7-6(11)9-5(4)10/h3,8H,2H2,1H3,(H2,7,9,10,11)
InChIKeyZHGYRHAPJQRCLO-UHFFFAOYSA-N
XLogP-1.64
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
CID 43258987
N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43605741
N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 102697459
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid
CID 114144355
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylbutanoic acid
CID 80540480
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167300
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]butanoic acid
CID 43351308
N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244636
N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 65192969
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
CID 61262292
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7635718
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 43258966) is N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is ZHGYRHAPJQRCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c1-2-8-14(12,13)4-3-7-6(11)9-5(4)10/h3,8H,2H2,1H3,(H2,7,9,10,11).
What are the key properties of N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 219.22 g/mol, XLogP of -1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43258966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).