1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone

C13H21N3OS — CID 4548905

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nccn1C
InChIInChI=1S/C13H21N3OS/c1-10-5-4-6-11(2)16(10)12(17)9-18-13-14-7-8-15(13)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyIQNBOVNYVPEKGS-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.30
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 4548905) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID4548905
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nccn1C
InChIInChI=1S/C13H21N3OS/c1-10-5-4-6-11(2)16(10)12(17)9-18-13-14-7-8-15(13)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyIQNBOVNYVPEKGS-UHFFFAOYSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone 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,N-dicyclohexyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2997942
1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
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-(Azetidin-1-yl)-2-(1-propylimidazol-2-yl)sulfanylethanone
CID 40009299
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
CID 53595147
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 53617604
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 53620653
2-Methylsulfanyl-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779778
N-cyclohexyl-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 40691855

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 4548905) is 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone is CC1CCCC(C)N1C(=O)CSc1nccn1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is IQNBOVNYVPEKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-5-4-6-11(2)16(10)12(17)9-18-13-14-7-8-15(13)3/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 267.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 4548905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).