3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide

C8H14N4O4S — CID 136975173

IUPAC3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESCOc1c(NCCCS(N)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C8H14N4O4S/c1-16-6-7(11-5-12-8(6)13)10-3-2-4-17(9,14)15/h5H,2-4H2,1H3,(H2,9,14,15)(H2,10,11,12,13)
InChIKeyPUHSMEXDJYHYIM-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.13
Rot. Bonds6

About 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide (PubChem CID 136975173) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide
PubChem CID136975173
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESCOc1c(NCCCS(N)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C8H14N4O4S/c1-16-6-7(11-5-12-8(6)13)10-3-2-4-17(9,14)15/h5H,2-4H2,1H3,(H2,9,14,15)(H2,10,11,12,13)
InChIKeyPUHSMEXDJYHYIM-UHFFFAOYSA-N
XLogP-1.13
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-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 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide (CID 136975173) is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide is COc1c(NCCCS(N)(=O)=O)nc[nH]c1=O.
What is the InChIKey of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide?
The InChIKey is PUHSMEXDJYHYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-16-6-7(11-5-12-8(6)13)10-3-2-4-17(9,14)15/h5H,2-4H2,1H3,(H2,9,14,15)(H2,10,11,12,13).
What are the key properties of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide?
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide has a molecular weight of 262.29 g/mol, XLogP of -1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 136975173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).