2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide

C13H22N2O2S — CID 55156913

IUPAC2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C13H22N2O2S/c1-5-13(6-2,11(14)18)15-9(16)7-12(3,4)8-10(15)17/h5-8H2,1-4H3,(H2,14,18)
InChIKeyIYDVZSYXZGYPPD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.01
Rot. Bonds4

About 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide

2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide (PubChem CID 55156913) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide
PubChem CID55156913
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C13H22N2O2S/c1-5-13(6-2,11(14)18)15-9(16)7-12(3,4)8-10(15)17/h5-8H2,1-4H3,(H2,14,18)
InChIKeyIYDVZSYXZGYPPD-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.01
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-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
The IUPAC name of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide (CID 55156913) is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
The canonical SMILES for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide is CCC(CC)(C(N)=S)N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
The InChIKey is IYDVZSYXZGYPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-13(6-2,11(14)18)15-9(16)7-12(3,4)8-10(15)17/h5-8H2,1-4H3,(H2,14,18).
What are the key properties of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide?
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide has a molecular weight of 270.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide is sourced from PubChem (CID 55156913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).