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

C12H20N2O2S — CID 55156723

IUPAC2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide
SMILESCCCC(C(N)=S)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H20N2O2S/c1-4-5-8(11(13)17)14-9(15)6-12(2,3)7-10(14)16/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyQZPIEZHGLQCDJC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.62
Rot. Bonds4

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

2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide (PubChem CID 55156723) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide
PubChem CID55156723
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide
SMILESCCCC(C(N)=S)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H20N2O2S/c1-4-5-8(11(13)17)14-9(15)6-12(2,3)7-10(14)16/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyQZPIEZHGLQCDJC-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.62
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)pentanethioamide?
The IUPAC name of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide (CID 55156723) is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide?
The canonical SMILES for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide is CCCC(C(N)=S)N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide?
The InChIKey is QZPIEZHGLQCDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-8(11(13)17)14-9(15)6-12(2,3)7-10(14)16/h8H,4-7H2,1-3H3,(H2,13,17).
What are the key properties of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide?
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide has a molecular weight of 256.37 g/mol, XLogP of 1.62, 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)pentanethioamide is sourced from PubChem (CID 55156723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).