2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide

C10H20N2O3S — CID 47235152

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-4-10(2,3)11-9(13)8-12-6-5-7-16(12,14)15/h4-8H2,1-3H3,(H,11,13)
InChIKeyWYYVVRAQNWJHLE-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds4

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 47235152) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID47235152
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-4-10(2,3)11-9(13)8-12-6-5-7-16(12,14)15/h4-8H2,1-3H3,(H,11,13)
InChIKeyWYYVVRAQNWJHLE-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide (CID 47235152) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is WYYVVRAQNWJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-10(2,3)11-9(13)8-12-6-5-7-16(12,14)15/h4-8H2,1-3H3,(H,11,13).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 4 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)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 47235152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).