3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione

C10H13N3O2S — CID 81335588

IUPAC3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione
SMILESCCc1c[nH]c(=S)n1C1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O2S/c1-2-6-5-11-10(16)13(6)7-3-4-8(14)12-9(7)15/h5,7H,2-4H2,1H3,(H,11,16)(H,12,14,15)
InChIKeyFVTCMQBXKARGEG-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.09
Rot. Bonds2

About 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione

3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione (PubChem CID 81335588) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione
PubChem CID81335588
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione
SMILESCCc1c[nH]c(=S)n1C1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O2S/c1-2-6-5-11-10(16)13(6)7-3-4-8(14)12-9(7)15/h5,7H,2-4H2,1H3,(H,11,16)(H,12,14,15)
InChIKeyFVTCMQBXKARGEG-UHFFFAOYSA-N
XLogP1.09
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
CID 144735375
3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
CID 81138605
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888
3-(5-fluoro-6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 103592373
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione
CID 79300482
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione
CID 163963632

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione (CID 81335588) is 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione is CCc1c[nH]c(=S)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione?
The InChIKey is FVTCMQBXKARGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-6-5-11-10(16)13(6)7-3-4-8(14)12-9(7)15/h5,7H,2-4H2,1H3,(H,11,16)(H,12,14,15).
What are the key properties of 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione?
3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione has a molecular weight of 239.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 81335588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).