N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C8H13N3O5S — CID 102697459

IUPACN-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-5(16-2)3-10-17(14,15)6-4-9-8(13)11-7(6)12/h4-5,10H,3H2,1-2H3,(H2,9,11,12,13)
InChIKeyMEAZGBZVPWTVDM-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.62
Rot. Bonds5

About N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 102697459) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID102697459
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC NameN-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O5S/c1-5(16-2)3-10-17(14,15)6-4-9-8(13)11-7(6)12/h4-5,10H,3H2,1-2H3,(H2,9,11,12,13)
InChIKeyMEAZGBZVPWTVDM-UHFFFAOYSA-N
XLogP-1.62
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 102697459) is N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is COC(C)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is MEAZGBZVPWTVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-5(16-2)3-10-17(14,15)6-4-9-8(13)11-7(6)12/h4-5,10H,3H2,1-2H3,(H2,9,11,12,13).
What are the key properties of N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 263.27 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 102697459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).