3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide

C7H14N2O2S2 — CID 43620077

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
SMILESCC(CN1CCCS1(=O)=O)C(N)=S
InChIInChI=1S/C7H14N2O2S2/c1-6(7(8)12)5-9-3-2-4-13(9,10)11/h6H,2-5H2,1H3,(H2,8,12)
InChIKeyUPQUJXAMLACGFO-UHFFFAOYSA-N
MW222.33 g/mol
LogP-0.06
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide (PubChem CID 43620077) has the molecular formula C7H14N2O2S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
PubChem CID43620077
Molecular FormulaC7H14N2O2S2
Molecular Weight222.33 g/mol
Exact Mass222.05
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
SMILESCC(CN1CCCS1(=O)=O)C(N)=S
InChIInChI=1S/C7H14N2O2S2/c1-6(7(8)12)5-9-3-2-4-13(9,10)11/h6H,2-5H2,1H3,(H2,8,12)
InChIKeyUPQUJXAMLACGFO-UHFFFAOYSA-N
XLogP-0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 5-0.06
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)methyl]-3,3,3-trifluoropropanethioamide
CID 103368907
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanethioamide
CID 164648872
(1-Ethylsulfonylpyrrolidin-3-yl)methanamine
CID 62063041
C-(2-Ethyl-1,1-dioxo-1lambda*6*-isothiazolidin-4-yl)-methylamine
CID 68267477
3-[Ethylsulfonyl(methyl)amino]propanethioamide
CID 28387954
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-1-amine
CID 43619978
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 43620068
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)propanethioamide
CID 43620071
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)ethanethioamide
CID 43620076
3-[Ethyl(3-methylbutylsulfonyl)amino]-2-methylpropanethioamide
CID 55259569
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 60913158
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide
CID 61121035

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide (CID 43620077) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide is CC(CN1CCCS1(=O)=O)C(N)=S.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
The InChIKey is UPQUJXAMLACGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S2/c1-6(7(8)12)5-9-3-2-4-13(9,10)11/h6H,2-5H2,1H3,(H2,8,12).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide has a molecular weight of 222.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropanethioamide is sourced from PubChem (CID 43620077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).