2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide

C7H14N2O2S2 — CID 61121035

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S2/c1-7(2,6(8)12)9-4-3-5-13(9,10)11/h3-5H2,1-2H3,(H2,8,12)
InChIKeyGJGXLZZTALNMEY-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.09
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide (PubChem CID 61121035) has the molecular formula C7H14N2O2S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
PubChem CID61121035
Molecular FormulaC7H14N2O2S2
Molecular Weight222.33 g/mol
Exact Mass222.05
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S2/c1-7(2,6(8)12)9-4-3-5-13(9,10)11/h3-5H2,1-2H3,(H2,8,12)
InChIKeyGJGXLZZTALNMEY-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-Dioxo-1,2-thiazolidin-2-yl)ethanethioamide
CID 43620076
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
CID 43620077
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)propanethioamide
CID 61122525
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 61122723
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide
CID 61123134
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanethioamide
CID 61123325
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine
CID 63194774
1-Ethylsulfonylpyrrolidine-2-carbothioamide
CID 64413382
2-Pyrrolidin-1-ylsulfonylpropanethioamide
CID 65565655
2-Methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 79579686
2-Ethyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 79579773
2-(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
CID 79580525

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide (CID 61121035) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide is CC(C)(C(N)=S)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
The InChIKey is GJGXLZZTALNMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S2/c1-7(2,6(8)12)9-4-3-5-13(9,10)11/h3-5H2,1-2H3,(H2,8,12).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide has a molecular weight of 222.33 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide is sourced from PubChem (CID 61121035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).