2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide

C6H9NO3S — CID 13356235

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide
SMILESNC(=O)CC1=CS(=O)(=O)CC1
InChIInChI=1S/C6H9NO3S/c7-6(8)3-5-1-2-11(9,10)4-5/h4H,1-3H2,(H2,7,8)
InChIKeyRJZWMDFCUHFDLG-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.44
Rot. Bonds2

About 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide (PubChem CID 13356235) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide
PubChem CID13356235
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide
SMILESNC(=O)CC1=CS(=O)(=O)CC1
InChIInChI=1S/C6H9NO3S/c7-6(8)3-5-1-2-11(9,10)4-5/h4H,1-3H2,(H2,7,8)
InChIKeyRJZWMDFCUHFDLG-UHFFFAOYSA-N
XLogP-0.44
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 129800330
CID 129800330

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide (CID 13356235) is 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide is NC(=O)CC1=CS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide?
The InChIKey is RJZWMDFCUHFDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c7-6(8)3-5-1-2-11(9,10)4-5/h4H,1-3H2,(H2,7,8).
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide has a molecular weight of 175.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide is sourced from PubChem (CID 13356235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).