N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide

C12H20N4O2S — CID 80580970

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)n1ccn(CC(=O)N(C)CCC(N)=S)c1=O
InChIInChI=1S/C12H20N4O2S/c1-9(2)16-7-6-15(12(16)18)8-11(17)14(3)5-4-10(13)19/h6-7,9H,4-5,8H2,1-3H3,(H2,13,19)
InChIKeyJJVRWEPBYHIOCI-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.37
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 80580970) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
PubChem CID80580970
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)n1ccn(CC(=O)N(C)CCC(N)=S)c1=O
InChIInChI=1S/C12H20N4O2S/c1-9(2)16-7-6-15(12(16)18)8-11(17)14(3)5-4-10(13)19/h6-7,9H,4-5,8H2,1-3H3,(H2,13,19)
InChIKeyJJVRWEPBYHIOCI-UHFFFAOYSA-N
XLogP0.37
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide 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 N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide (CID 80580970) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide is CC(C)n1ccn(CC(=O)N(C)CCC(N)=S)c1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is JJVRWEPBYHIOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9(2)16-7-6-15(12(16)18)8-11(17)14(3)5-4-10(13)19/h6-7,9H,4-5,8H2,1-3H3,(H2,13,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 284.39 g/mol, XLogP of 0.37, 6 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-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 80580970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).