N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide

C5H9NO5S2 — CID 87303443

IUPACN-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide
SMILESCC(=O)NC1CS(=O)(=O)CS1(=O)=O
InChIInChI=1S/C5H9NO5S2/c1-4(7)6-5-2-12(8,9)3-13(5,10)11/h5H,2-3H2,1H3,(H,6,7)
InChIKeyVRANFMBQYOUREZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.75
Rot. Bonds1

About N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide

N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide (PubChem CID 87303443) has the molecular formula C5H9NO5S2 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide
PubChem CID87303443
Molecular FormulaC5H9NO5S2
Molecular Weight227.26 g/mol
Exact Mass226.99
IUPAC NameN-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide
SMILESCC(=O)NC1CS(=O)(=O)CS1(=O)=O
InChIInChI=1S/C5H9NO5S2/c1-4(7)6-5-2-12(8,9)3-13(5,10)11/h5H,2-3H2,1H3,(H,6,7)
InChIKeyVRANFMBQYOUREZ-UHFFFAOYSA-N
XLogP-1.75
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide?
The IUPAC name of N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide (CID 87303443) is N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide.
What is the SMILES notation for N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide?
The canonical SMILES for N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide is CC(=O)NC1CS(=O)(=O)CS1(=O)=O.
What is the InChIKey of N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide?
The InChIKey is VRANFMBQYOUREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S2/c1-4(7)6-5-2-12(8,9)3-13(5,10)11/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide?
N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide has a molecular weight of 227.26 g/mol, XLogP of -1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide is sourced from PubChem (CID 87303443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).