N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide

C10H14N4O2S — CID 62849427

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ncccc1=O
InChIInChI=1S/C10H14N4O2S/c1-13(6-4-8(11)17)10(16)7-14-9(15)3-2-5-12-14/h2-3,5H,4,6-7H2,1H3,(H2,11,17)
InChIKeyXCANKWMAHVGRAK-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.62
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 62849427) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID62849427
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ncccc1=O
InChIInChI=1S/C10H14N4O2S/c1-13(6-4-8(11)17)10(16)7-14-9(15)3-2-5-12-14/h2-3,5H,4,6-7H2,1H3,(H2,11,17)
InChIKeyXCANKWMAHVGRAK-UHFFFAOYSA-N
XLogP-0.62
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide (CID 62849427) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide is CN(CCC(N)=S)C(=O)Cn1ncccc1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is XCANKWMAHVGRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13(6-4-8(11)17)10(16)7-14-9(15)3-2-5-12-14/h2-3,5H,4,6-7H2,1H3,(H2,11,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 254.31 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 62849427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).