N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide

C11H15NO3S2 — CID 42915503

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide
SMILESCC1(NC(=O)Cc2cccs2)CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S2/c1-11(4-6-17(14,15)8-11)12-10(13)7-9-3-2-5-16-9/h2-3,5H,4,6-8H2,1H3,(H,12,13)
InChIKeySZYWTMMLKDOPAW-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.98
Rot. Bonds3

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 42915503) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide
PubChem CID42915503
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide
SMILESCC1(NC(=O)Cc2cccs2)CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S2/c1-11(4-6-17(14,15)8-11)12-10(13)7-9-3-2-5-16-9/h2-3,5H,4,6-8H2,1H3,(H,12,13)
InChIKeySZYWTMMLKDOPAW-UHFFFAOYSA-N
XLogP0.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide (CID 42915503) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide is CC1(NC(=O)Cc2cccs2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is SZYWTMMLKDOPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-11(4-6-17(14,15)8-11)12-10(13)7-9-3-2-5-16-9/h2-3,5H,4,6-8H2,1H3,(H,12,13).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 273.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42915503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).