N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C7H12N4O4S — CID 43605741

IUPACN-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESNCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O4S/c8-2-1-3-10-16(14,15)5-4-9-7(13)11-6(5)12/h4,10H,1-3,8H2,(H2,9,11,12,13)
InChIKeyOUEOZNYNJFIFKW-UHFFFAOYSA-N
MW248.26 g/mol
LogP-2.31
Rot. Bonds5

About N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 43605741) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID43605741
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC NameN-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESNCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O4S/c8-2-1-3-10-16(14,15)5-4-9-7(13)11-6(5)12/h4,10H,1-3,8H2,(H2,9,11,12,13)
InChIKeyOUEOZNYNJFIFKW-UHFFFAOYSA-N
XLogP-2.31
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 43605741) is N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is NCCCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is OUEOZNYNJFIFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c8-2-1-3-10-16(14,15)5-4-9-7(13)11-6(5)12/h4,10H,1-3,8H2,(H2,9,11,12,13).
What are the key properties of N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 248.26 g/mol, XLogP of -2.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43605741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).