N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide

C10H14N4O3S — CID 43290872

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H14N4O3S/c1-13(5-4-7(11)18)10(17)6-14-9(16)3-2-8(15)12-14/h2-3H,4-6H2,1H3,(H2,11,18)(H,12,15)
InChIKeyXECWTOJHAKVCCQ-UHFFFAOYSA-N
MW270.31 g/mol
LogP-1.33
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (PubChem CID 43290872) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
PubChem CID43290872
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H14N4O3S/c1-13(5-4-7(11)18)10(17)6-14-9(16)3-2-8(15)12-14/h2-3H,4-6H2,1H3,(H2,11,18)(H,12,15)
InChIKeyXECWTOJHAKVCCQ-UHFFFAOYSA-N
XLogP-1.33
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,6-dioxo-1H-pyridazin-2-yl)propanethioamide
CID 12787568
4-(3,6-dioxo-1H-pyridazin-2-yl)butanethioamide
CID 24703641
2-(3,6-dioxo-1H-pyridazin-2-yl)ethanethioamide
CID 24709553
N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 43243633
N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
CID 43290876
3-(3,6-dioxo-1H-pyridazin-2-yl)-2-methylpropanethioamide
CID 43368087
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide
CID 60635966
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-dimethylacetamide
CID 60637145
N-(3-amino-3-sulfanylidenepropyl)-2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 63270780
N-(3-aminopropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 84102652

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (CID 43290872) is N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is CN(CCC(N)=S)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The InChIKey is XECWTOJHAKVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-13(5-4-7(11)18)10(17)6-14-9(16)3-2-8(15)12-14/h2-3H,4-6H2,1H3,(H2,11,18)(H,12,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide has a molecular weight of 270.31 g/mol, XLogP of -1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 43290872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).