3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione

C9H11N3O2S — CID 142623396

IUPAC3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione
SMILESCn1ccnc1SC1CCC(=O)NC1=O
InChIInChI=1S/C9H11N3O2S/c1-12-5-4-10-9(12)15-6-2-3-7(13)11-8(6)14/h4-6H,2-3H2,1H3,(H,11,13,14)
InChIKeyYATZEASBVALBHD-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.32
Rot. Bonds2

About 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione

3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione (PubChem CID 142623396) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione
PubChem CID142623396
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione
SMILESCn1ccnc1SC1CCC(=O)NC1=O
InChIInChI=1S/C9H11N3O2S/c1-12-5-4-10-9(12)15-6-2-3-7(13)11-8(6)14/h4-6H,2-3H2,1H3,(H,11,13,14)
InChIKeyYATZEASBVALBHD-UHFFFAOYSA-N
XLogP0.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione?
The IUPAC name of 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione (CID 142623396) is 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione is Cn1ccnc1SC1CCC(=O)NC1=O.
What is the InChIKey of 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione?
The InChIKey is YATZEASBVALBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-12-5-4-10-9(12)15-6-2-3-7(13)11-8(6)14/h4-6H,2-3H2,1H3,(H,11,13,14).
What are the key properties of 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione?
3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione has a molecular weight of 225.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 142623396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).