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

C9H14N2O2S — CID 61120448

IUPAC2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1C(=O)CCCC1=O
InChIInChI=1S/C9H14N2O2S/c1-9(2,8(10)14)11-6(12)4-3-5-7(11)13/h3-5H2,1-2H3,(H2,10,14)
InChIKeyWIGJRVMRIOGDTJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.59
Rot. Bonds2

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

2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide (PubChem CID 61120448) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide
PubChem CID61120448
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1C(=O)CCCC1=O
InChIInChI=1S/C9H14N2O2S/c1-9(2,8(10)14)11-6(12)4-3-5-7(11)13/h3-5H2,1-2H3,(H2,10,14)
InChIKeyWIGJRVMRIOGDTJ-UHFFFAOYSA-N
XLogP0.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.59
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-methylpropanethioamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide (CID 61120448) is 2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide is CC(C)(C(N)=S)N1C(=O)CCCC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide?
The InChIKey is WIGJRVMRIOGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,8(10)14)11-6(12)4-3-5-7(11)13/h3-5H2,1-2H3,(H2,10,14).
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide?
2-(2,6-dioxopiperidin-1-yl)-2-methylpropanethioamide has a molecular weight of 214.29 g/mol, XLogP of 0.59, 2 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-methylpropanethioamide is sourced from PubChem (CID 61120448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).