3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide

C12H19N3O2S — CID 114702845

IUPAC3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cncc2C2CCNCC2)C1
InChIInChI=1S/C12H19N3O2S/c16-18(17)6-3-11(8-18)15-9-14-7-12(15)10-1-4-13-5-2-10/h7,9-11,13H,1-6,8H2
InChIKeyDJBNCQXLHYDIQC-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.71
Rot. Bonds2

About 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide

3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide (PubChem CID 114702845) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide
PubChem CID114702845
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cncc2C2CCNCC2)C1
InChIInChI=1S/C12H19N3O2S/c16-18(17)6-3-11(8-18)15-9-14-7-12(15)10-1-4-13-5-2-10/h7,9-11,13H,1-6,8H2
InChIKeyDJBNCQXLHYDIQC-UHFFFAOYSA-N
XLogP0.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide 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

4-[3-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]piperidine
CID 107854524
4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
CID 114704999
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 114720394
4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 104966852
(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine
CID 104941648
4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 66140663
N-[[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147330
2-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114720388
1-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114706024
6-chloro-3-(1,1-dioxothiolan-3-yl)-5-iodopyrimidin-4-one
CID 114583749
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674

Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide (CID 114702845) is 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(n2cncc2C2CCNCC2)C1.
What is the InChIKey of 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is DJBNCQXLHYDIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c16-18(17)6-3-11(8-18)15-9-14-7-12(15)10-1-4-13-5-2-10/h7,9-11,13H,1-6,8H2.
What are the key properties of 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide?
3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 114702845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).