2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone

C9H11NO3S2 — CID 84802884

IUPAC2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
SMILESNCC(=O)c1cc2c(s1)CCS(=O)(=O)C2
InChIInChI=1S/C9H11NO3S2/c10-4-7(11)9-3-6-5-15(12,13)2-1-8(6)14-9/h3H,1-2,4-5,10H2
InChIKeyYUNBDNZOEDFKQS-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.36
Rot. Bonds2

About 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone

2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone (PubChem CID 84802884) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
PubChem CID84802884
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Name2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
SMILESNCC(=O)c1cc2c(s1)CCS(=O)(=O)C2
InChIInChI=1S/C9H11NO3S2/c10-4-7(11)9-3-6-5-15(12,13)2-1-8(6)14-9/h3H,1-2,4-5,10H2
InChIKeyYUNBDNZOEDFKQS-UHFFFAOYSA-N
XLogP0.36
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone with MolForge

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Related Compounds

2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 10657175
[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227528
[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine
CID 84805620
2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 84803360
[(2S,5R)-2,5-dimethylpiperidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227500
1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
CID 84813843
5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 75452759
3-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-one
CID 115795153
N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 20882715
5,5,5-trifluoro-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-one
CID 115792119
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-en-1-one
CID 114974846
2-cyclopentyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114969345

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The IUPAC name of 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone (CID 84802884) is 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone is NCC(=O)c1cc2c(s1)CCS(=O)(=O)C2.
What is the InChIKey of 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The InChIKey is YUNBDNZOEDFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c10-4-7(11)9-3-6-5-15(12,13)2-1-8(6)14-9/h3H,1-2,4-5,10H2.
What are the key properties of 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone has a molecular weight of 245.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone is sourced from PubChem (CID 84802884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).