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

C8H16N2O2S2 — CID 61123134

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S2/c1-3-8(2,7(9)13)10-5-4-6-14(10,11)12/h3-6H2,1-2H3,(H2,9,13)
InChIKeyIDRRSADQIOQRHY-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.48
Rot. Bonds3

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

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide (PubChem CID 61123134) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide
PubChem CID61123134
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S2/c1-3-8(2,7(9)13)10-5-4-6-14(10,11)12/h3-6H2,1-2H3,(H2,9,13)
InChIKeyIDRRSADQIOQRHY-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.48
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)-2-methylpropanethioamide
CID 61121035
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 61122723
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)pentanethioamide
CID 61122724
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide
CID 61122725
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanethioamide
CID 61123325
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide
CID 61123774
N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide
CID 62007858
N-(1-amino-2-methylbutan-2-yl)-N-ethylpropane-2-sulfonamide
CID 62008248
N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide
CID 62009043
N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide
CID 62009247
N-(1-amino-2-methylbutan-2-yl)-N-propylethanesulfonamide
CID 62009248

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide (CID 61123134) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide is CCC(C)(C(N)=S)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide?
The InChIKey is IDRRSADQIOQRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-3-8(2,7(9)13)10-5-4-6-14(10,11)12/h3-6H2,1-2H3,(H2,9,13).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide has a molecular weight of 236.36 g/mol, XLogP of 0.48, 3 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-methylbutanethioamide is sourced from PubChem (CID 61123134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).