2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide

C11H18N2O2S — CID 61122720

IUPAC2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)CCCC1=O
InChIInChI=1S/C11H18N2O2S/c1-3-11(4-2,10(12)16)13-8(14)6-5-7-9(13)15/h3-7H2,1-2H3,(H2,12,16)
InChIKeyWYZJFICQTBZUFD-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.37
Rot. Bonds4

About 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide

2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide (PubChem CID 61122720) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide
PubChem CID61122720
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)CCCC1=O
InChIInChI=1S/C11H18N2O2S/c1-3-11(4-2,10(12)16)13-8(14)6-5-7-9(13)15/h3-7H2,1-2H3,(H2,12,16)
InChIKeyWYZJFICQTBZUFD-UHFFFAOYSA-N
XLogP1.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide (CID 61122720) is 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide is CCC(CC)(C(N)=S)N1C(=O)CCCC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
The InChIKey is WYZJFICQTBZUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-11(4-2,10(12)16)13-8(14)6-5-7-9(13)15/h3-7H2,1-2H3,(H2,12,16).
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide has a molecular weight of 242.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide is sourced from PubChem (CID 61122720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).