1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone

C11H19N3OS — CID 11673157

IUPAC1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone
SMILESCC(=O)c1cnc(SCCCN(C)C)n1C
InChIInChI=1S/C11H19N3OS/c1-9(15)10-8-12-11(14(10)4)16-7-5-6-13(2)3/h8H,5-7H2,1-4H3
InChIKeyQBMCTVKUKAXUMH-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone

1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone (PubChem CID 11673157) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone
PubChem CID11673157
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone
SMILESCC(=O)c1cnc(SCCCN(C)C)n1C
InChIInChI=1S/C11H19N3OS/c1-9(15)10-8-12-11(14(10)4)16-7-5-6-13(2)3/h8H,5-7H2,1-4H3
InChIKeyQBMCTVKUKAXUMH-UHFFFAOYSA-N
XLogP1.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone 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 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone?
The IUPAC name of 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone (CID 11673157) is 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone is CC(=O)c1cnc(SCCCN(C)C)n1C.
What is the InChIKey of 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone?
The InChIKey is QBMCTVKUKAXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(15)10-8-12-11(14(10)4)16-7-5-6-13(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone?
1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone has a molecular weight of 241.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]ethanone is sourced from PubChem (CID 11673157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).