N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide

C12H11NO2S — CID 12767920

IUPACN-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)SC1(CC1)C2=O
InChIInChI=1S/C12H11NO2S/c1-7(14)13-8-2-3-9-10(6-8)16-12(4-5-12)11(9)15/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyZPQZVYNJJADPJW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.47
Rot. Bonds1

About N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide

N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide (PubChem CID 12767920) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide
PubChem CID12767920
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)SC1(CC1)C2=O
InChIInChI=1S/C12H11NO2S/c1-7(14)13-8-2-3-9-10(6-8)16-12(4-5-12)11(9)15/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyZPQZVYNJJADPJW-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide?
The IUPAC name of N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide (CID 12767920) is N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide.
What is the SMILES notation for N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide?
The canonical SMILES for N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide is CC(=O)Nc1ccc2c(c1)SC1(CC1)C2=O.
What is the InChIKey of N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide?
The InChIKey is ZPQZVYNJJADPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7(14)13-8-2-3-9-10(6-8)16-12(4-5-12)11(9)15/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide?
N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide has a molecular weight of 233.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide is sourced from PubChem (CID 12767920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).