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

C8H13N3O4S — CID 43980555

IUPACN,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4S/c1-3-11(4-2)16(14,15)6-5-9-8(13)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyILWWKFGDSLMHJR-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.91
Rot. Bonds4

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

N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 43980555) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID43980555
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC NameN,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4S/c1-3-11(4-2)16(14,15)6-5-9-8(13)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyILWWKFGDSLMHJR-UHFFFAOYSA-N
XLogP-0.91
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 43980555) is N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CCN(CC)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is ILWWKFGDSLMHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-3-11(4-2)16(14,15)6-5-9-8(13)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12,13).
What are the key properties of N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43980555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).