N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide

C6H11NO4S — CID 10058434

IUPACN-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H11NO4S/c1-4(8)7-5-2-12(10,11)3-6(5)9/h5-6,9H,2-3H2,1H3,(H,7,8)
InChIKeyWMFNUYNAMATQKC-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.72
Rot. Bonds1

About N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide

N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 10058434) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide
PubChem CID10058434
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC NameN-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H11NO4S/c1-4(8)7-5-2-12(10,11)3-6(5)9/h5-6,9H,2-3H2,1H3,(H,7,8)
InChIKeyWMFNUYNAMATQKC-UHFFFAOYSA-N
XLogP-1.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide (CID 10058434) is N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide is CC(=O)NC1CS(=O)(=O)CC1O.
What is the InChIKey of N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is WMFNUYNAMATQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-4(8)7-5-2-12(10,11)3-6(5)9/h5-6,9H,2-3H2,1H3,(H,7,8).
What are the key properties of N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide?
N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 193.22 g/mol, XLogP of -1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 10058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).