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

C15H15NO2S — CID 21037077

IUPAC(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc3c2CCOC3)cc1
InChIInChI=1S/C15H15NO2S/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-18-8-12(11)19-15(13)16/h2-5H,6-8,16H2,1H3
InChIKeyJEXLMJZPIFTEMP-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.94
Rot. Bonds2

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

(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone (PubChem CID 21037077) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone
PubChem CID21037077
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(N)sc3c2CCOC3)cc1
InChIInChI=1S/C15H15NO2S/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-18-8-12(11)19-15(13)16/h2-5H,6-8,16H2,1H3
InChIKeyJEXLMJZPIFTEMP-UHFFFAOYSA-N
XLogP2.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.94
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 (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone (CID 21037077) is (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(N)sc3c2CCOC3)cc1.
What is the InChIKey of (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone?
The InChIKey is JEXLMJZPIFTEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-18-8-12(11)19-15(13)16/h2-5H,6-8,16H2,1H3.
What are the key properties of (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone?
(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone has a molecular weight of 273.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 21037077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).