N-(1,1-dioxothiolan-2-yl)acetamide

C6H11NO3S — CID 154342338

IUPACN-(1,1-dioxothiolan-2-yl)acetamide
SMILESCC(=O)NC1CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-5(8)7-6-3-2-4-11(6,9)10/h6H,2-4H2,1H3,(H,7,8)
InChIKeyOLTQBVTYSNGNJJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.34
Rot. Bonds1

About N-(1,1-dioxothiolan-2-yl)acetamide

N-(1,1-dioxothiolan-2-yl)acetamide (PubChem CID 154342338) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-2-yl)acetamide
PubChem CID154342338
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-(1,1-dioxothiolan-2-yl)acetamide
SMILESCC(=O)NC1CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-5(8)7-6-3-2-4-11(6,9)10/h6H,2-4H2,1H3,(H,7,8)
InChIKeyOLTQBVTYSNGNJJ-UHFFFAOYSA-N
XLogP-0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-2-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-2-yl)acetamide (CID 154342338) is N-(1,1-dioxothiolan-2-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-2-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-2-yl)acetamide is CC(=O)NC1CCCS1(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-2-yl)acetamide?
The InChIKey is OLTQBVTYSNGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-5(8)7-6-3-2-4-11(6,9)10/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(1,1-dioxothiolan-2-yl)acetamide?
N-(1,1-dioxothiolan-2-yl)acetamide has a molecular weight of 177.22 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-2-yl)acetamide is sourced from PubChem (CID 154342338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).