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

C9H11NO2S — CID 65354828

IUPAC1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone
SMILESCC(=O)c1c(N)sc2c1CCOC2
InChIInChI=1S/C9H11NO2S/c1-5(11)8-6-2-3-12-4-7(6)13-9(8)10/h2-4,10H2,1H3
InChIKeyJVJZOUPHTGANMQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.61
Rot. Bonds1

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

1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone (PubChem CID 65354828) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone
PubChem CID65354828
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone
SMILESCC(=O)c1c(N)sc2c1CCOC2
InChIInChI=1S/C9H11NO2S/c1-5(11)8-6-2-3-12-4-7(6)13-9(8)10/h2-4,10H2,1H3
InChIKeyJVJZOUPHTGANMQ-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone?
The IUPAC name of 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone (CID 65354828) is 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone is CC(=O)c1c(N)sc2c1CCOC2.
What is the InChIKey of 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone?
The InChIKey is JVJZOUPHTGANMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-5(11)8-6-2-3-12-4-7(6)13-9(8)10/h2-4,10H2,1H3.
What are the key properties of 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone?
1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone has a molecular weight of 197.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone is sourced from PubChem (CID 65354828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).