3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one

C11H17N3OS — CID 47138836

IUPAC3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one
SMILESCCn1ccnc1SC1CCCCNC1=O
InChIInChI=1S/C11H17N3OS/c1-2-14-8-7-13-11(14)16-9-5-3-4-6-12-10(9)15/h7-9H,2-6H2,1H3,(H,12,15)
InChIKeyVDIKLQIGDXKVGD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds3

About 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one

3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one (PubChem CID 47138836) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one
PubChem CID47138836
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one
SMILESCCn1ccnc1SC1CCCCNC1=O
InChIInChI=1S/C11H17N3OS/c1-2-14-8-7-13-11(14)16-9-5-3-4-6-12-10(9)15/h7-9H,2-6H2,1H3,(H,12,15)
InChIKeyVDIKLQIGDXKVGD-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one 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

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
N-cyclohexyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2997769
N-cyclopropyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4178854
N-cyclohexyl-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39074209
1-(1-Imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71894674
N-cyclohexyl-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 40691855
N-(3-(1H-Imidazol-1-yl)propyl)hexanamide
CID 4188384
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide
CID 43038477
N-cyclopentyl-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 40691854
3-(1-Methylimidazol-2-yl)sulfanylpiperidine-2,6-dione
CID 142623396
2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 47004238
2-(1-methylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60353283

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one?
The IUPAC name of 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one (CID 47138836) is 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one is CCn1ccnc1SC1CCCCNC1=O.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one?
The InChIKey is VDIKLQIGDXKVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-14-8-7-13-11(14)16-9-5-3-4-6-12-10(9)15/h7-9H,2-6H2,1H3,(H,12,15).
What are the key properties of 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one?
3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)sulfanylazepan-2-one is sourced from PubChem (CID 47138836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).