3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide

C10H14N4OS — CID 106896266

IUPAC3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
SMILESCC(C)(C(=O)NCc1cccnn1)C(N)=S
InChIInChI=1S/C10H14N4OS/c1-10(2,8(11)16)9(15)12-6-7-4-3-5-13-14-7/h3-5H,6H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyRBQLBFMWRIRFOX-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.41
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide

3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide (PubChem CID 106896266) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
PubChem CID106896266
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
SMILESCC(C)(C(=O)NCc1cccnn1)C(N)=S
InChIInChI=1S/C10H14N4OS/c1-10(2,8(11)16)9(15)12-6-7-4-3-5-13-14-7/h3-5H,6H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyRBQLBFMWRIRFOX-UHFFFAOYSA-N
XLogP0.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
1-ethyl-3-(pyridazin-3-ylmethyl)thiourea
CID 106831708
4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
CID 106896004
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
3-amino-2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-sulfanylidenepropanamide
CID 62116986
1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
CID 106896257

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide (CID 106896266) is 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide is CC(C)(C(=O)NCc1cccnn1)C(N)=S.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide?
The InChIKey is RBQLBFMWRIRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-10(2,8(11)16)9(15)12-6-7-4-3-5-13-14-7/h3-5H,6H2,1-2H3,(H2,11,16)(H,12,15).
What are the key properties of 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide?
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide has a molecular weight of 238.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 106896266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).